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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Thiazoles (7,287)
Imidazoles (5,922)
Pyrazoles (2,019)
Oxazoles (1,548)
Triazoles (655)
Oxadiazoles (492)
Isoxazoles (260)
Thiadiazoles (88)
Dithiazoles (4)

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631 – 645 of 17,055 results
631
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3-Methyl-4-nitro-1H-pyrazole, 97%

CAS: 5334-39-4 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00037864 InChI Key: WTZYTQJELOHMMJ-UHFFFAOYSA-N Synonym: 3-methyl-4-nitro-1h-pyrazole,3-methyl-4-nitropyrazole,1h-pyrazole, 3-methyl-4-nitro,3-methyl-4-nitro pyrazole,3-me-4-no2 pyrazole,5-methyl-4-nitropyrazole,acmc-209l6a,ksc497o4j,4-nitro-5-methyl-1h-pyrazole,3-methyl-4-nitro-1h-pyrazole # PubChem CID: 79255 IUPAC Name: 5-methyl-4-nitro-1H-pyrazole SMILES: CC1=C(C=NN1)[N+]([O-])=O

PubChem CID 79255
CAS 5334-39-4
Molecular Weight (g/mol) 127.10
MDL Number MFCD00037864
SMILES CC1=C(C=NN1)[N+]([O-])=O
Synonym 3-methyl-4-nitro-1h-pyrazole,3-methyl-4-nitropyrazole,1h-pyrazole, 3-methyl-4-nitro,3-methyl-4-nitro pyrazole,3-me-4-no2 pyrazole,5-methyl-4-nitropyrazole,acmc-209l6a,ksc497o4j,4-nitro-5-methyl-1h-pyrazole,3-methyl-4-nitro-1h-pyrazole #
IUPAC Name 5-methyl-4-nitro-1H-pyrazole
InChI Key WTZYTQJELOHMMJ-UHFFFAOYSA-N
Molecular Formula C4H5N3O2
632
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2-Chloro-1-methylimidazole-5-boronic acid pinacol ester, 95%

CAS: 1315281-29-8 Molecular Formula: C10H16BClN2O2 Molecular Weight (g/mol): 242.51 MDL Number: MFCD11100959 InChI Key: MOQXZCYTVMKINQ-UHFFFAOYSA-N Synonym: 2-chloro-1-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-imidazole,2-chloro-1-methylimidazole-5-boronic acid pinacol ester,2-chloro-1-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl imidazole,2-chloro-1-methyl-1h-imidazole-5-boronic acid pinacol ester,2-chloro-1-methyl-1h-imidazole-5-boronic acid, pinacol ester,2-chloro-1-methyl-1h-imidazol-5-yl boronic acid pinacol ester,2-chloro-1-methyl-5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-imidazole,2-chloro-1-methyl-5-tetramethyl-1,3,2-dioxaborolan-2-yl imidazole PubChem CID: 45588157 IUPAC Name: 2-chloro-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N2C)Cl

PubChem CID 45588157
CAS 1315281-29-8
Molecular Weight (g/mol) 242.51
MDL Number MFCD11100959
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N2C)Cl
Synonym 2-chloro-1-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-imidazole,2-chloro-1-methylimidazole-5-boronic acid pinacol ester,2-chloro-1-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl imidazole,2-chloro-1-methyl-1h-imidazole-5-boronic acid pinacol ester,2-chloro-1-methyl-1h-imidazole-5-boronic acid, pinacol ester,2-chloro-1-methyl-1h-imidazol-5-yl boronic acid pinacol ester,2-chloro-1-methyl-5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-imidazole,2-chloro-1-methyl-5-tetramethyl-1,3,2-dioxaborolan-2-yl imidazole
IUPAC Name 2-chloro-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
InChI Key MOQXZCYTVMKINQ-UHFFFAOYSA-N
Molecular Formula C10H16BClN2O2
633
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3,5-Bis(trifluoromethyl)pyrazole, 97%, Thermo Scientific™

CAS: 14704-41-7 Molecular Formula: C5H2F6N2 Molecular Weight (g/mol): 204.07 InChI Key: NGDDUAYSWPUSLX-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl-1h-pyrazole,3,5-bis trifluoromethyl pyrazole,1h-pyrazole,3,5-bis trifluoromethyl,1h-pyrazole, 3,5-bis trifluoromethyl,3,3-bis trifluoromethyl pyrazol,3,5-bis trifluoromethyl pyrazol,3,5-bis-trifluoromethyl-1h-pyrazole,bis trifluoromethyl pyrazole,3,5-di trifluoromethyl-1h-pyrazole PubChem CID: 518991 IUPAC Name: 3,5-bis(trifluoromethyl)-1H-pyrazole SMILES: C1=C(NN=C1C(F)(F)F)C(F)(F)F

PubChem CID 518991
CAS 14704-41-7
Molecular Weight (g/mol) 204.07
SMILES C1=C(NN=C1C(F)(F)F)C(F)(F)F
Synonym 3,5-bis trifluoromethyl-1h-pyrazole,3,5-bis trifluoromethyl pyrazole,1h-pyrazole,3,5-bis trifluoromethyl,1h-pyrazole, 3,5-bis trifluoromethyl,3,3-bis trifluoromethyl pyrazol,3,5-bis trifluoromethyl pyrazol,3,5-bis-trifluoromethyl-1h-pyrazole,bis trifluoromethyl pyrazole,3,5-di trifluoromethyl-1h-pyrazole
IUPAC Name 3,5-bis(trifluoromethyl)-1H-pyrazole
InChI Key NGDDUAYSWPUSLX-UHFFFAOYSA-N
Molecular Formula C5H2F6N2
634
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2-Amino-5-nitrothiazole, 97%

CAS: 121-66-4 Molecular Formula: C3H3N3O2S Molecular Weight (g/mol): 145.14 MDL Number: MFCD00005326 InChI Key: MIHADVKEHAFNPG-UHFFFAOYSA-N Synonym: 2-amino-5-nitrothiazole,5-nitrothiazol-2-amine,enheptin,entramin,2-thiazolamine, 5-nitro,nitramin ido,amnizol soluble,enheptin-t,5-nitro-2-thiazolamine,enheptin premix PubChem CID: 8486 ChEBI: CHEBI:82386 IUPAC Name: 5-nitro-1,3-thiazol-2-amine SMILES: NC1=NC=C(S1)[N+]([O-])=O

PubChem CID 8486
CAS 121-66-4
Molecular Weight (g/mol) 145.14
ChEBI CHEBI:82386
MDL Number MFCD00005326
SMILES NC1=NC=C(S1)[N+]([O-])=O
Synonym 2-amino-5-nitrothiazole,5-nitrothiazol-2-amine,enheptin,entramin,2-thiazolamine, 5-nitro,nitramin ido,amnizol soluble,enheptin-t,5-nitro-2-thiazolamine,enheptin premix
IUPAC Name 5-nitro-1,3-thiazol-2-amine
InChI Key MIHADVKEHAFNPG-UHFFFAOYSA-N
Molecular Formula C3H3N3O2S
635

3-(1,3-Oxazol-5-yl)benzoic acid, ≥97%, Thermo Scientific™

CAS: 252928-82-8 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD06797481 InChI Key: GDGXRJDVOKNSCX-UHFFFAOYSA-N Synonym: 3-1,3-oxazol-5-yl benzoic acid,3-oxazol-5-yl benzoic acid,3-5-oxazolyl benzoic acid,benzoic acid, 3-5-oxazolyl,3-5-oxazolyl benzoicacid,benzoicacid, 3-5-oxazolyl PubChem CID: 7127813 IUPAC Name: 3-(1,3-oxazol-5-yl)benzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CN=CO2

PubChem CID 7127813
CAS 252928-82-8
Molecular Weight (g/mol) 189.17
MDL Number MFCD06797481
SMILES C1=CC(=CC(=C1)C(=O)O)C2=CN=CO2
Synonym 3-1,3-oxazol-5-yl benzoic acid,3-oxazol-5-yl benzoic acid,3-5-oxazolyl benzoic acid,benzoic acid, 3-5-oxazolyl,3-5-oxazolyl benzoicacid,benzoicacid, 3-5-oxazolyl
IUPAC Name 3-(1,3-oxazol-5-yl)benzoic acid
InChI Key GDGXRJDVOKNSCX-UHFFFAOYSA-N
Molecular Formula C10H7NO3
636
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4-Nitroimidazole, 98%

CAS: 3034-38-6 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00005196 InChI Key: VYDWQPKRHOGLPA-UHFFFAOYSA-N Synonym: 4-nitroimidazole,4-nitro-1h-imidazole,1h-imidazole, 4-nitro,5-nitroimidazole,4 5-nitroimidazole,imidazole, 4-nitro,1h-imidazole, 5-nitro,unii-y8u32az5o7,5 4-nitroimidazole,4-nitro-3h-imidazole PubChem CID: 18208 ChEBI: CHEBI:64635 IUPAC Name: 5-nitro-1H-imidazole SMILES: [O-][N+](=O)C1=CN=CN1

PubChem CID 18208
CAS 3034-38-6
Molecular Weight (g/mol) 113.08
ChEBI CHEBI:64635
MDL Number MFCD00005196
SMILES [O-][N+](=O)C1=CN=CN1
Synonym 4-nitroimidazole,4-nitro-1h-imidazole,1h-imidazole, 4-nitro,5-nitroimidazole,4 5-nitroimidazole,imidazole, 4-nitro,1h-imidazole, 5-nitro,unii-y8u32az5o7,5 4-nitroimidazole,4-nitro-3h-imidazole
IUPAC Name 5-nitro-1H-imidazole
InChI Key VYDWQPKRHOGLPA-UHFFFAOYSA-N
Molecular Formula C3H3N3O2
637

5-Methyl-2-phenyl-1,3-oxazole-4-carbaldehyde, 97%, Thermo Scientific™

CAS: 70170-23-9 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.20 MDL Number: MFCD08435848 InChI Key: JEXONSMPSXTJFF-UHFFFAOYSA-N Synonym: 5-methyl-2-phenyloxazole-4-carbaldehyde,4-oxazolecarboxaldehyde,5-methyl-2-phenyl,4-oxazolecarboxaldehyde, 5-methyl-2-phenyl PubChem CID: 12471041 IUPAC Name: 5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde SMILES: CC1=C(C=O)N=C(O1)C1=CC=CC=C1

PubChem CID 12471041
CAS 70170-23-9
Molecular Weight (g/mol) 187.20
MDL Number MFCD08435848
SMILES CC1=C(C=O)N=C(O1)C1=CC=CC=C1
Synonym 5-methyl-2-phenyloxazole-4-carbaldehyde,4-oxazolecarboxaldehyde,5-methyl-2-phenyl,4-oxazolecarboxaldehyde, 5-methyl-2-phenyl
IUPAC Name 5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde
InChI Key JEXONSMPSXTJFF-UHFFFAOYSA-N
Molecular Formula C11H9NO2
638

4-Methyl-2-pyrid-4-yl-1,3-thiazole-5-carbonyl chloride hydrochloride, 90%, Thermo Scientific™

CAS: 953408-88-3 Molecular Formula: C10H8Cl2N2OS Molecular Weight (g/mol): 275.147 MDL Number: MFCD09879910 InChI Key: XERFFSPGBNKEDT-UHFFFAOYSA-N Synonym: 4-methyl-2-pyrid-4-yl-1,3-thiazole-5-carbonyl chloride hydrochloride,4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl chloride hydrochloride,4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl chloride-hydrogen chloride 1/1,5-thiazolecarbonylchloride, 4-methyl-2-4-pyridinyl-, hydrochloride 1:1 PubChem CID: 24229588 IUPAC Name: 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl chloride;hydrochloride SMILES: CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)Cl.Cl

PubChem CID 24229588
CAS 953408-88-3
Molecular Weight (g/mol) 275.147
MDL Number MFCD09879910
SMILES CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)Cl.Cl
Synonym 4-methyl-2-pyrid-4-yl-1,3-thiazole-5-carbonyl chloride hydrochloride,4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl chloride hydrochloride,4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl chloride-hydrogen chloride 1/1,5-thiazolecarbonylchloride, 4-methyl-2-4-pyridinyl-, hydrochloride 1:1
IUPAC Name 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl chloride;hydrochloride
InChI Key XERFFSPGBNKEDT-UHFFFAOYSA-N
Molecular Formula C10H8Cl2N2OS
639

4-(1H-1,2,4-triazol-1-ylmethyl)benzoic acid, ≥97%, Thermo Scientific™

CAS: 160388-54-5 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.201 MDL Number: MFCD07187900 InChI Key: DJXUEFGFCMIONN-UHFFFAOYSA-N PubChem CID: 3159714 IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid SMILES: C1=CC(=CC=C1CN2C=NC=N2)C(=O)O

PubChem CID 3159714
CAS 160388-54-5
Molecular Weight (g/mol) 203.201
MDL Number MFCD07187900
SMILES C1=CC(=CC=C1CN2C=NC=N2)C(=O)O
IUPAC Name 4-(1,2,4-triazol-1-ylmethyl)benzoic acid
InChI Key DJXUEFGFCMIONN-UHFFFAOYSA-N
Molecular Formula C10H9N3O2
640

4-(1H-Pyrazol-1-ylmethyl)aniline, 95%, Thermo Scientific™

CAS: 142335-61-3 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.22 MDL Number: MFCD03422514 InChI Key: ISRYTHBRUSOVAB-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-ylmethyl aniline,4-1h-pyrazol-1-yl methyl aniline,4-pyrazol-1-ylmethyl aniline,4-1-pyrazolyl methyl aniline,4-pyrazol-1-ylmethyl-phenylamine,4-pyrazol-1-ylmethylphenylamine,benzenamine,4-1h-pyrazol-1-ylmethyl,4-pyrazolylmethyl phenylamine,pyrazolylmethylaniline PubChem CID: 2764412 IUPAC Name: 4-(pyrazol-1-ylmethyl)aniline SMILES: NC1=CC=C(CN2C=CC=N2)C=C1

PubChem CID 2764412
CAS 142335-61-3
Molecular Weight (g/mol) 173.22
MDL Number MFCD03422514
SMILES NC1=CC=C(CN2C=CC=N2)C=C1
Synonym 4-1h-pyrazol-1-ylmethyl aniline,4-1h-pyrazol-1-yl methyl aniline,4-pyrazol-1-ylmethyl aniline,4-1-pyrazolyl methyl aniline,4-pyrazol-1-ylmethyl-phenylamine,4-pyrazol-1-ylmethylphenylamine,benzenamine,4-1h-pyrazol-1-ylmethyl,4-pyrazolylmethyl phenylamine,pyrazolylmethylaniline
IUPAC Name 4-(pyrazol-1-ylmethyl)aniline
InChI Key ISRYTHBRUSOVAB-UHFFFAOYSA-N
Molecular Formula C10H11N3
641

(4-Methyl-2-pyrid-4-yl-1,3-thiazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 886851-57-6 Molecular Formula: C10H10N2OS Molecular Weight (g/mol): 206.26 MDL Number: MFCD09817497 InChI Key: WSBUFMYJALKFHJ-UHFFFAOYSA-N Synonym: 4-methyl-2-pyridin-4-yl thiazol-5-yl methanol,4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl methanol,4-methyl-2-pyrid-4-yl-1,3-thiazol-5-yl methanol,5-hydroxymethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole,5-thiazolemethanol,4-methyl-2-4-pyridinyl,4-methyl-2-4-pyridyl-1,3-thiazol-5-yl methan-1-ol PubChem CID: 20110144 SMILES: CC1=C(CO)SC(=N1)C1=CC=NC=C1

PubChem CID 20110144
CAS 886851-57-6
Molecular Weight (g/mol) 206.26
MDL Number MFCD09817497
SMILES CC1=C(CO)SC(=N1)C1=CC=NC=C1
Synonym 4-methyl-2-pyridin-4-yl thiazol-5-yl methanol,4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl methanol,4-methyl-2-pyrid-4-yl-1,3-thiazol-5-yl methanol,5-hydroxymethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole,5-thiazolemethanol,4-methyl-2-4-pyridinyl,4-methyl-2-4-pyridyl-1,3-thiazol-5-yl methan-1-ol
InChI Key WSBUFMYJALKFHJ-UHFFFAOYSA-N
Molecular Formula C10H10N2OS
642

3-(1H-1,2,4-triazol-1-ylmethyl)aniline, ≥97%, Thermo Scientific™

CAS: 127988-22-1 Molecular Formula: C9H10N4 Molecular Weight (g/mol): 174.207 MDL Number: MFCD08060528 InChI Key: LFINNEVQJQXPHN-UHFFFAOYSA-N Synonym: 3-1h-1,2,4-triazol-1-ylmethyl aniline,3-1,2,4-triazol-1-ylmethyl aniline,3-1,2,4-triazol-1-yl methyl aniline,3-1,2,4 triazol-1-ylmethyl-phenylamine,3-1h-1,2,4-triazol-1-yl methyl aniline,benzenamine,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl phenylamine,acmc-20e0ac,1-3-aminobenzyl-1h-1,2,4-triazole PubChem CID: 6482004 IUPAC Name: 3-(1,2,4-triazol-1-ylmethyl)aniline SMILES: C1=CC(=CC(=C1)N)CN2C=NC=N2

PubChem CID 6482004
CAS 127988-22-1
Molecular Weight (g/mol) 174.207
MDL Number MFCD08060528
SMILES C1=CC(=CC(=C1)N)CN2C=NC=N2
Synonym 3-1h-1,2,4-triazol-1-ylmethyl aniline,3-1,2,4-triazol-1-ylmethyl aniline,3-1,2,4-triazol-1-yl methyl aniline,3-1,2,4 triazol-1-ylmethyl-phenylamine,3-1h-1,2,4-triazol-1-yl methyl aniline,benzenamine,3-1h-1,2,4-triazol-1-ylmethyl,3-1,2,4-triazolylmethyl phenylamine,acmc-20e0ac,1-3-aminobenzyl-1h-1,2,4-triazole
IUPAC Name 3-(1,2,4-triazol-1-ylmethyl)aniline
InChI Key LFINNEVQJQXPHN-UHFFFAOYSA-N
Molecular Formula C9H10N4
643
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2,4,5-Trimethyloxazole, 97%

CAS: 20662-84-4 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.144 MDL Number: MFCD00005308 InChI Key: ZRLDBDZSLLGDOX-UHFFFAOYSA-N Synonym: 2,4,5-trimethyloxazole,trimethyloxazole,oxazole, trimethyl,unii-b04pf51wxi,2,4,5-trimethyl oxazole,trimethyl-1,3-oxazole,b04pf51wxi,oxazole, 2,4,5-trimethyl,trimethyl-oxazole,pubchem8636 PubChem CID: 30215 IUPAC Name: 2,4,5-trimethyl-1,3-oxazole SMILES: CC1=C(OC(=N1)C)C

PubChem CID 30215
CAS 20662-84-4
Molecular Weight (g/mol) 111.144
MDL Number MFCD00005308
SMILES CC1=C(OC(=N1)C)C
Synonym 2,4,5-trimethyloxazole,trimethyloxazole,oxazole, trimethyl,unii-b04pf51wxi,2,4,5-trimethyl oxazole,trimethyl-1,3-oxazole,b04pf51wxi,oxazole, 2,4,5-trimethyl,trimethyl-oxazole,pubchem8636
IUPAC Name 2,4,5-trimethyl-1,3-oxazole
InChI Key ZRLDBDZSLLGDOX-UHFFFAOYSA-N
Molecular Formula C6H9NO
644
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Ethyl 2-amino-4-methylthiazole-5-carboxylate, 97%

CAS: 7210-76-6 Molecular Formula: C7H10N2O2S Molecular Weight (g/mol): 186.23 MDL Number: MFCD00123414 InChI Key: WZHUPCREDVWLKC-UHFFFAOYSA-N PubChem CID: 343747 IUPAC Name: ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate SMILES: CCOC(=O)C1=C(C)N=C(N)S1

PubChem CID 343747
CAS 7210-76-6
Molecular Weight (g/mol) 186.23
MDL Number MFCD00123414
SMILES CCOC(=O)C1=C(C)N=C(N)S1
IUPAC Name ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
InChI Key WZHUPCREDVWLKC-UHFFFAOYSA-N
Molecular Formula C7H10N2O2S
645
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1-dodecylimidazole, 97%

CAS: 4303-67-7 Molecular Formula: C15H28N2 Molecular Weight (g/mol): 236.40 MDL Number: MFCD00278859 InChI Key: JMTFLSQHQSFNTE-UHFFFAOYSA-N Synonym: 1-dodecyl-1h-imidazole,n-dodecylimidazole,1h-imidazole, 1-dodecyl,n-laurylimidazole,imidazole, 1-dodecyl,1-laurylimidazole,unii-q11nxv80s7,1-dodecyl-1h-imidazol,n-dodecyl imidazole,pubchem20091 PubChem CID: 78002 IUPAC Name: 1-dodecylimidazole SMILES: CCCCCCCCCCCCN1C=CN=C1

PubChem CID 78002
CAS 4303-67-7
Molecular Weight (g/mol) 236.40
MDL Number MFCD00278859
SMILES CCCCCCCCCCCCN1C=CN=C1
Synonym 1-dodecyl-1h-imidazole,n-dodecylimidazole,1h-imidazole, 1-dodecyl,n-laurylimidazole,imidazole, 1-dodecyl,1-laurylimidazole,unii-q11nxv80s7,1-dodecyl-1h-imidazol,n-dodecyl imidazole,pubchem20091
IUPAC Name 1-dodecylimidazole
InChI Key JMTFLSQHQSFNTE-UHFFFAOYSA-N
Molecular Formula C15H28N2