Imidazoles

Aromatic organic heterocyclic compounds that consist of a diazole with non-adjacent nitrogen atoms with the formula: C3N2H4.

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1,2-Dimethylimidazole, 96+%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C

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PubChem CID	15617
CAS	1739-84-0
Molecular Weight (g/mol)	96.13
MDL Number	MFCD00005294
SMILES	CN1C=CN=C1C
Synonym	1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole
IUPAC Name	1,2-dimethylimidazole
InChI Key	GIWQSPITLQVMSG-UHFFFAOYSA-N
Molecular Formula	C5H8N2

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1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 IUPAC Name: 1-methylimidazole SMILES: CN1C=CN=C1

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PubChem CID	1390
CAS	616-47-7
Molecular Weight (g/mol)	82.11
ChEBI	CHEBI:113454
MDL Number	MFCD00005292
SMILES	CN1C=CN=C1
Synonym	1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
IUPAC Name	1-methylimidazole
InChI Key	MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula	C4H6N2

Thermo Scientific Chemicals 1-Methylimidazole, for biochemistry, anhydrous, AcroSeal™

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N IUPAC Name: 1-methyl-1H-imidazole SMILES: CN1C=CN=C1

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CAS	616-47-7
Molecular Weight (g/mol)	82.11
MDL Number	MFCD00005292
SMILES	CN1C=CN=C1
IUPAC Name	1-methyl-1H-imidazole
InChI Key	MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula	C4H6N2

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Thermo Scientific Chemicals Tinidazole

CAS: 19387-91-8 Molecular Formula: C8H13N3O4S Molecular Weight (g/mol): 247.27 MDL Number: MFCD00057217 InChI Key: HJLSLZFTEKNLFI-UHFFFAOYSA-N IUPAC Name: 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O

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CAS	19387-91-8
Molecular Weight (g/mol)	247.27
MDL Number	MFCD00057217
SMILES	CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
IUPAC Name	1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
InChI Key	HJLSLZFTEKNLFI-UHFFFAOYSA-N
Molecular Formula	C8H13N3O4S

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Thermo Scientific Chemicals Metronidazole, 99%

CAS: 443-48-1 Molecular Formula: C₆H₉N₃O₃ Molecular Weight (g/mol): 171.16 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

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PubChem CID	4173
CAS	443-48-1
Molecular Weight (g/mol)	171.16
ChEBI	CHEBI:6909
MDL Number	MFCD00009750
SMILES	CC1=NC=C(N1CCO)[N+](=O)[O-]
Synonym	metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol
IUPAC Name	2-(2-methyl-5-nitroimidazol-1-yl)ethanol
InChI Key	VAOCPAMSLUNLGC-UHFFFAOYSA-N
Molecular Formula	C₆H₉N₃O₃

2-(2-Methyl-1H-imidazol-1-yl)benzonitrile, 97%, Thermo Scientific™

CAS: 892502-27-1 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.214 MDL Number: MFCD09065013 InChI Key: NCQQCFZREDABTC-UHFFFAOYSA-N Synonym: 2-2-methyl-1h-imidazol-1-yl benzonitrile,2-2-methylimidazol-1-yl benzonitrile,2-2-methylimidazolyl benzenecarbonitrile,benzonitrile,2-2-methyl-1h-imidazol-1-yl PubChem CID: 24229637 IUPAC Name: 2-(2-methylimidazol-1-yl)benzonitrile SMILES: CC1=NC=CN1C2=CC=CC=C2C#N

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PubChem CID	24229637
CAS	892502-27-1
Molecular Weight (g/mol)	183.214
MDL Number	MFCD09065013
SMILES	CC1=NC=CN1C2=CC=CC=C2C#N
Synonym	2-2-methyl-1h-imidazol-1-yl benzonitrile,2-2-methylimidazol-1-yl benzonitrile,2-2-methylimidazolyl benzenecarbonitrile,benzonitrile,2-2-methyl-1h-imidazol-1-yl
IUPAC Name	2-(2-methylimidazol-1-yl)benzonitrile
InChI Key	NCQQCFZREDABTC-UHFFFAOYSA-N
Molecular Formula	C11H9N3

1H-Imidazole-4-carbaldehyde, 97%, Thermo Scientific™

CAS: 3034-50-2 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00173726 InChI Key: ZQEXIXXJFSQPNA-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde PubChem CID: 76428 IUPAC Name: 1H-imidazole-5-carbaldehyde SMILES: C1=C(NC=N1)C=O

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PubChem CID	76428
CAS	3034-50-2
Molecular Weight (g/mol)	96.089
MDL Number	MFCD00173726
SMILES	C1=C(NC=N1)C=O
Synonym	1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde
IUPAC Name	1H-imidazole-5-carbaldehyde
InChI Key	ZQEXIXXJFSQPNA-UHFFFAOYSA-N
Molecular Formula	C4H4N2O

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N-Butylimidazole, 98%

CAS: 4316-42-1 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00042753 InChI Key: MCMFEZDRQOJKMN-UHFFFAOYSA-N Synonym: 1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl PubChem CID: 61347 IUPAC Name: 1-butyl-1H-imidazole SMILES: CCCCN1C=CN=C1

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PubChem CID	61347
CAS	4316-42-1
Molecular Weight (g/mol)	124.19
MDL Number	MFCD00042753
SMILES	CCCCN1C=CN=C1
Synonym	1-butyl-1h-imidazole,1h-imidazole, 1-butyl,n-butylimidazole,1-n-butylimidazole,n-n-butyl imidazole,1-n-butyl imidazole,1-buthylimidazole,n-n-butylimidazole,imidazole, 1-butyl
IUPAC Name	1-butyl-1H-imidazole
InChI Key	MCMFEZDRQOJKMN-UHFFFAOYSA-N
Molecular Formula	C7H12N2

1-Methyl-1H-imidazole-4-carbonitrile, 97%, Thermo Scientific™

CAS: 66121-69-5 Molecular Formula: C5H5N3 Molecular Weight (g/mol): 107.116 MDL Number: MFCD06411537 InChI Key: LAKVILSENFFPRR-UHFFFAOYSA-N PubChem CID: 2795115 IUPAC Name: 1-methylimidazole-4-carbonitrile SMILES: CN1C=C(N=C1)C#N

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PubChem CID	2795115
CAS	66121-69-5
Molecular Weight (g/mol)	107.116
MDL Number	MFCD06411537
SMILES	CN1C=C(N=C1)C#N
IUPAC Name	1-methylimidazole-4-carbonitrile
InChI Key	LAKVILSENFFPRR-UHFFFAOYSA-N
Molecular Formula	C5H5N3

4-(1H-Imidazol-1-ylmethyl)benzonitrile, ≥97%, Thermo Scientific™

CAS: 112809-54-8 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.214 MDL Number: MFCD08060525 InChI Key: LUSFCTSUDCCYLQ-UHFFFAOYSA-N Synonym: 4-1h-imidazol-1-ylmethyl benzonitrile,4-imidazol-1-ylmethyl benzonitrile,1-4-cyanobenzyl imidazole,4-1h-imidazol-1-yl methyl benzonitrile,1-4-cyanobenzyl-1h-imidazole,4-imidazol-1-ylmethyl-benzonitrile,4-1-imidazolylmethyl-benzonitrile,benzonitrile,4-1h-imidazol-1-ylmethyl,acmc-1cab3 PubChem CID: 1236449 IUPAC Name: 4-(imidazol-1-ylmethyl)benzonitrile SMILES: C1=CC(=CC=C1CN2C=CN=C2)C#N

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PubChem CID	1236449
CAS	112809-54-8
Molecular Weight (g/mol)	183.214
MDL Number	MFCD08060525
SMILES	C1=CC(=CC=C1CN2C=CN=C2)C#N
Synonym	4-1h-imidazol-1-ylmethyl benzonitrile,4-imidazol-1-ylmethyl benzonitrile,1-4-cyanobenzyl imidazole,4-1h-imidazol-1-yl methyl benzonitrile,1-4-cyanobenzyl-1h-imidazole,4-imidazol-1-ylmethyl-benzonitrile,4-1-imidazolylmethyl-benzonitrile,benzonitrile,4-1h-imidazol-1-ylmethyl,acmc-1cab3
IUPAC Name	4-(imidazol-1-ylmethyl)benzonitrile
InChI Key	LUSFCTSUDCCYLQ-UHFFFAOYSA-N
Molecular Formula	C11H9N3

3-(2-Methyl-1H-imidazol-1-yl)aniline, 97%, Thermo Scientific™

CAS: 184098-19-9 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.219 MDL Number: MFCD09702403 InChI Key: ZDHNDCMKVXWWLA-UHFFFAOYSA-N Synonym: 3-2-methyl-1h-imidazol-1-yl aniline,3-2-methylimidazol-1-yl aniline,3-2-methyl-1h-imidazol-1-yl-benzenamine,3-2-methylimidazolyl phenylamine,benzenamine,3-2-methyl-1h-imidazol-1-yl PubChem CID: 12797139 IUPAC Name: 3-(2-methylimidazol-1-yl)aniline SMILES: CC1=NC=CN1C2=CC(=CC=C2)N

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PubChem CID	12797139
CAS	184098-19-9
Molecular Weight (g/mol)	173.219
MDL Number	MFCD09702403
SMILES	CC1=NC=CN1C2=CC(=CC=C2)N
Synonym	3-2-methyl-1h-imidazol-1-yl aniline,3-2-methylimidazol-1-yl aniline,3-2-methyl-1h-imidazol-1-yl-benzenamine,3-2-methylimidazolyl phenylamine,benzenamine,3-2-methyl-1h-imidazol-1-yl
IUPAC Name	3-(2-methylimidazol-1-yl)aniline
InChI Key	ZDHNDCMKVXWWLA-UHFFFAOYSA-N
Molecular Formula	C10H11N3

2-(1H-Imidazol-1-yl)aniline, 97%, Thermo Scientific™

CAS: 26286-54-4 Molecular Formula: C9H9N3 Molecular Weight (g/mol): 159.192 MDL Number: MFCD03274531 InChI Key: HVECTIQVQPUSEX-UHFFFAOYSA-N Synonym: 2-1h-imidazol-1-yl aniline,2-1-imidazolyl aniline,2-imidazol-1-yl-phenylamine,2-imidazol-1-yl aniline,benzenamine,2-1h-imidazol-1-yl,2-imidazolylphenylamine,2-1h-imidazol-1-yl benzenamine,pubchem10103,n-o-aminophenyl imidazole,2-imidazol-1-ylphenylamine PubChem CID: 320166 IUPAC Name: 2-imidazol-1-ylaniline SMILES: C1=CC=C(C(=C1)N)N2C=CN=C2

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PubChem CID	320166
CAS	26286-54-4
Molecular Weight (g/mol)	159.192
MDL Number	MFCD03274531
SMILES	C1=CC=C(C(=C1)N)N2C=CN=C2
Synonym	2-1h-imidazol-1-yl aniline,2-1-imidazolyl aniline,2-imidazol-1-yl-phenylamine,2-imidazol-1-yl aniline,benzenamine,2-1h-imidazol-1-yl,2-imidazolylphenylamine,2-1h-imidazol-1-yl benzenamine,pubchem10103,n-o-aminophenyl imidazole,2-imidazol-1-ylphenylamine
IUPAC Name	2-imidazol-1-ylaniline
InChI Key	HVECTIQVQPUSEX-UHFFFAOYSA-N
Molecular Formula	C9H9N3

1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonylchloride hydrochloride, ≥97%, Thermo Scientific™

CAS: 568577-86-6 Molecular Formula: C12H12Cl2N2OS Molecular Weight (g/mol): 303.201 MDL Number: MFCD04974045 InChI Key: AUZZRVMDIAHPNZ-UHFFFAOYSA-N Synonym: 1-benzyl-2-methylsulfanyl-1h-imidazole-5-carbonyl chloride hydrochloride,3-benzyl-2-methylsulfanyl imidazole-4-carbonyl chloride hydrochloride,3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride hydrochloride,1-benzyl-2-methylthio-1h-imidazole-5-carbonyl chloride hydrochloride PubChem CID: 2795486 IUPAC Name: 3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride;hydrochloride SMILES: CSC1=NC=C(N1CC2=CC=CC=C2)C(=O)Cl.Cl

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PubChem CID	2795486
CAS	568577-86-6
Molecular Weight (g/mol)	303.201
MDL Number	MFCD04974045
SMILES	CSC1=NC=C(N1CC2=CC=CC=C2)C(=O)Cl.Cl
Synonym	1-benzyl-2-methylsulfanyl-1h-imidazole-5-carbonyl chloride hydrochloride,3-benzyl-2-methylsulfanyl imidazole-4-carbonyl chloride hydrochloride,3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride hydrochloride,1-benzyl-2-methylthio-1h-imidazole-5-carbonyl chloride hydrochloride
IUPAC Name	3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride;hydrochloride
InChI Key	AUZZRVMDIAHPNZ-UHFFFAOYSA-N
Molecular Formula	C12H12Cl2N2OS

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1-Ethyl-3-methylimidazolium chloride, 97%

CAS: 65039-09-0 Molecular Formula: C6H11ClN2 Molecular Weight (g/mol): 146.62 MDL Number: MFCD00074843 InChI Key: BMQZYMYBQZGEEY-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180 PubChem CID: 2734160 ChEBI: CHEBI:61327 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;chloride SMILES: [Cl-].CCN1C=C[N+](C)=C1

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PubChem CID	2734160
CAS	65039-09-0
Molecular Weight (g/mol)	146.62
ChEBI	CHEBI:61327
MDL Number	MFCD00074843
SMILES	[Cl-].CCN1C=C[N+](C)=C1
Synonym	1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180
IUPAC Name	1-ethyl-3-methylimidazol-3-ium;chloride
InChI Key	BMQZYMYBQZGEEY-UHFFFAOYSA-M
Molecular Formula	C6H11ClN2

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1-Ethyl-3-methylimidazolium bromide, 98%

CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 SMILES: [Br-].CCN1C=C[N+](C)=C1

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PubChem CID	2734235
CAS	65039-08-9
Molecular Weight (g/mol)	191.07
MDL Number	MFCD03427610
SMILES	[Br-].CCN1C=C[N+](C)=C1
Synonym	1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br
InChI Key	GWQYPLXGJIXMMV-UHFFFAOYSA-M
Molecular Formula	C6H11BrN2

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