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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.
Imidazoles (3,836)
Thiazoles (3,195)
Pyrazoles (1,589)
Oxazoles (831)
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Isoxazoles (240)
Thiadiazoles (83)
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826 – 840 of 9,462 results
826

1-Isopropylimidazole 97.0+%, TCI America™

CAS: 4532-96-1 Molecular Formula: C6H10N2 Molecular Weight (g/mol): 110.16 MDL Number: MFCD00234239 InChI Key: IPIORGCOGQZEHO-UHFFFAOYSA-N PubChem CID: 10176113 IUPAC Name: 1-propan-2-ylimidazole SMILES: CC(C)N1C=CN=C1

PubChem CID 10176113
CAS 4532-96-1
Molecular Weight (g/mol) 110.16
MDL Number MFCD00234239
SMILES CC(C)N1C=CN=C1
IUPAC Name 1-propan-2-ylimidazole
InChI Key IPIORGCOGQZEHO-UHFFFAOYSA-N
Molecular Formula C6H10N2
827

1-Ethyl-3-methylimidazolium Nitrate 98.0+%, TCI America™

CAS: 143314-14-1 Molecular Formula: C6H11N3O3 Molecular Weight (g/mol): 173.172 MDL Number: MFCD00210007 InChI Key: JDOJFSVGXRJFLL-UHFFFAOYSA-N Synonym: 1-ethyl-3-methylimidazolium nitrate,1-ethyl-3-methylimidazolium nitrate nt,emim no3,acmc-20dtjx,dsstox_cid_29073,dsstox_rid_83292,dsstox_gsid_49217,ksc170o1h,1-ethyl-3-methyl-1h-imidazol-3-ium nitrate PubChem CID: 16211072 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;nitrate SMILES: CCN1C=C[N+](=C1)C.[N+](=O)([O-])[O-]

PubChem CID 16211072
CAS 143314-14-1
Molecular Weight (g/mol) 173.172
MDL Number MFCD00210007
SMILES CCN1C=C[N+](=C1)C.[N+](=O)([O-])[O-]
Synonym 1-ethyl-3-methylimidazolium nitrate,1-ethyl-3-methylimidazolium nitrate nt,emim no3,acmc-20dtjx,dsstox_cid_29073,dsstox_rid_83292,dsstox_gsid_49217,ksc170o1h,1-ethyl-3-methyl-1h-imidazol-3-ium nitrate
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;nitrate
InChI Key JDOJFSVGXRJFLL-UHFFFAOYSA-N
Molecular Formula C6H11N3O3
828

1-Butyl-3-methylimidazolium Tetrachloroferrate 98.0+%, TCI America™

CAS: 359845-21-9 Molecular Formula: C8H15Cl4FeN2 Molecular Weight (g/mol): 336.867 InChI Key: FYHLFBVHUIJIII-UHFFFAOYSA-J PubChem CID: 11674455 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;tetrachloroiron(1-) SMILES: CCCCN1C=C[N+](=C1)C.Cl[Fe-](Cl)(Cl)Cl

PubChem CID 11674455
CAS 359845-21-9
Molecular Weight (g/mol) 336.867
SMILES CCCCN1C=C[N+](=C1)C.Cl[Fe-](Cl)(Cl)Cl
IUPAC Name 1-butyl-3-methylimidazol-3-ium;tetrachloroiron(1-)
InChI Key FYHLFBVHUIJIII-UHFFFAOYSA-J
Molecular Formula C8H15Cl4FeN2
829

Mizolastine 98.0+%, TCI America™

CAS: 108612-45-9 Molecular Formula: C24H25FN6O Molecular Weight (g/mol): 432.50 MDL Number: MFCD00864625 InChI Key: PVLJETXTTWAYEW-UHFFFAOYSA-N PubChem CID: 65906 IUPAC Name: 2-[(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidin-4-yl)(methyl)amino]-3,4-dihydropyrimidin-4-one SMILES: CN(C1CCN(CC1)C1=NC2=CC=CC=C2N1CC1=CC=C(F)C=C1)C1=NC=CC(=O)N1

PubChem CID 65906
CAS 108612-45-9
Molecular Weight (g/mol) 432.50
MDL Number MFCD00864625
SMILES CN(C1CCN(CC1)C1=NC2=CC=CC=C2N1CC1=CC=C(F)C=C1)C1=NC=CC(=O)N1
IUPAC Name 2-[(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidin-4-yl)(methyl)amino]-3,4-dihydropyrimidin-4-one
InChI Key PVLJETXTTWAYEW-UHFFFAOYSA-N
Molecular Formula C24H25FN6O
830

1-Butyl-2,3-dimethylimidazolium Chloride 98.0+%, TCI America™

CAS: 98892-75-2 Molecular Formula: C9H17ClN2 Molecular Weight (g/mol): 188.699 InChI Key: HHHYPTORQNESCU-UHFFFAOYSA-M Synonym: 1-butyl-2,3-dimethylimidazolium chloride,1-butyl-2,3-dimethyl-1h-imidazol-3-ium chloride,1-butyl-2,3-dimethylimidazol-1-ium chloride,3-butyl-1,2-dimethylimidazol-1-ium chloride,acmc-209sba,dsstox_cid_27882,dsstox_rid_82635,dsstox_gsid_47906,1-butyl-2,3-dimethylimidazoliumchloride,1-butyl-2,3-dime-thylimidazolium chloride PubChem CID: 2734167 IUPAC Name: 1-butyl-2,3-dimethylimidazol-3-ium;chloride SMILES: CCCCN1C=C[N+](=C1C)C.[Cl-]

PubChem CID 2734167
CAS 98892-75-2
Molecular Weight (g/mol) 188.699
SMILES CCCCN1C=C[N+](=C1C)C.[Cl-]
Synonym 1-butyl-2,3-dimethylimidazolium chloride,1-butyl-2,3-dimethyl-1h-imidazol-3-ium chloride,1-butyl-2,3-dimethylimidazol-1-ium chloride,3-butyl-1,2-dimethylimidazol-1-ium chloride,acmc-209sba,dsstox_cid_27882,dsstox_rid_82635,dsstox_gsid_47906,1-butyl-2,3-dimethylimidazoliumchloride,1-butyl-2,3-dime-thylimidazolium chloride
IUPAC Name 1-butyl-2,3-dimethylimidazol-3-ium;chloride
InChI Key HHHYPTORQNESCU-UHFFFAOYSA-M
Molecular Formula C9H17ClN2
831

1-Butyl-3-methylimidazolium Thiocyanate 97.0+%, TCI America™

CAS: 344790-87-0 Molecular Formula: C9H15N3S Molecular Weight (g/mol): 197.3 MDL Number: MFCD06798181 InChI Key: SIXHYMZEOJSYQH-UHFFFAOYSA-M PubChem CID: 11424151 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;thiocyanate SMILES: CCCCN1C=C[N+](=C1)C.C(#N)[S-]

PubChem CID 11424151
CAS 344790-87-0
Molecular Weight (g/mol) 197.3
MDL Number MFCD06798181
SMILES CCCCN1C=C[N+](=C1)C.C(#N)[S-]
IUPAC Name 1-butyl-3-methylimidazol-3-ium;thiocyanate
InChI Key SIXHYMZEOJSYQH-UHFFFAOYSA-M
Molecular Formula C9H15N3S
832

1-(Heptafluorobutyryl)imidazole 97.0+%, TCI America™

CAS: 32477-35-3 Molecular Formula: C7H3F7N2O Molecular Weight (g/mol): 264.103 MDL Number: MFCD00014503 InChI Key: MSYHGYDAVLDKCE-UHFFFAOYSA-N Synonym: n-heptafluorobutyrylimidazole,1-heptafluorobutyryl imidazole,heptafluorobutyrylimidazole,n-heptafluorobutyryl imidazole,hfbi,1-perfluorobutyryl imidazole,2,2,3,3,4,4,4-heptafluoro-1-1h-imidazol-1-yl butan-1-one,1-2,2,3,3,4,4,4-heptafluoro-1-oxobutyl-1h-imidazole,2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-yl butan-1-one,1h-imidazole, 1-2,2,3,3,4,4,4-heptafluoro-1-oxobutyl PubChem CID: 94431 IUPAC Name: 2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one SMILES: C1=CN(C=N1)C(=O)C(C(C(F)(F)F)(F)F)(F)F

PubChem CID 94431
CAS 32477-35-3
Molecular Weight (g/mol) 264.103
MDL Number MFCD00014503
SMILES C1=CN(C=N1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
Synonym n-heptafluorobutyrylimidazole,1-heptafluorobutyryl imidazole,heptafluorobutyrylimidazole,n-heptafluorobutyryl imidazole,hfbi,1-perfluorobutyryl imidazole,2,2,3,3,4,4,4-heptafluoro-1-1h-imidazol-1-yl butan-1-one,1-2,2,3,3,4,4,4-heptafluoro-1-oxobutyl-1h-imidazole,2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-yl butan-1-one,1h-imidazole, 1-2,2,3,3,4,4,4-heptafluoro-1-oxobutyl
IUPAC Name 2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one
InChI Key MSYHGYDAVLDKCE-UHFFFAOYSA-N
Molecular Formula C7H3F7N2O
833

1-Hexyl-3-methylimidazolium Hexafluorophosphate 98.0+%, TCI America™

CAS: 304680-35-1 Molecular Formula: C10H19F6N2P Molecular Weight (g/mol): 312.24 MDL Number: MFCD03093296 InChI Key: YPWSSSRXUOQNMQ-UHFFFAOYSA-N Synonym: 1-hexyl-3-methylimidazolium hexafluorophosphate,1-hexyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,1-n-hexyl-3-methylimidazolium hexafluorophosphate,acmc-209hg2,dsstox_cid_27925,dsstox_rid_82678,dsstox_gsid_47949,ksc222c9l,1-hexyl-3-methyl-imidazol-3-ium hexafluorophosphate,1-hex-1-yl-3-methyl-1h-imidazol-3-ium hexafluorophosphate PubChem CID: 2734175 IUPAC Name: 1-hexyl-3-methyl-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide SMILES: F[P-](F)(F)(F)(F)F.CCCCCCN1C=C[N+](C)=C1

PubChem CID 2734175
CAS 304680-35-1
Molecular Weight (g/mol) 312.24
MDL Number MFCD03093296
SMILES F[P-](F)(F)(F)(F)F.CCCCCCN1C=C[N+](C)=C1
Synonym 1-hexyl-3-methylimidazolium hexafluorophosphate,1-hexyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,1-n-hexyl-3-methylimidazolium hexafluorophosphate,acmc-209hg2,dsstox_cid_27925,dsstox_rid_82678,dsstox_gsid_47949,ksc222c9l,1-hexyl-3-methyl-imidazol-3-ium hexafluorophosphate,1-hex-1-yl-3-methyl-1h-imidazol-3-ium hexafluorophosphate
IUPAC Name 1-hexyl-3-methyl-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide
InChI Key YPWSSSRXUOQNMQ-UHFFFAOYSA-N
Molecular Formula C10H19F6N2P
834

1-Methyl-3-n-octylimidazolium Hexafluorophosphate 98.0+%, TCI America™

CAS: 304680-36-2 Molecular Formula: C12H23F6N2P Molecular Weight (g/mol): 340.29 MDL Number: MFCD03427617 InChI Key: GRCIJNHHTXBJAK-UHFFFAOYSA-N Synonym: 1-methyl-3-n-octylimidazolium hexafluorophosphate,3-methyl-1-octylimidazolium hexafluorophosphate,1-methyl-3-octylimidazolium hexafluorophosphate,1-octyl-3-methylimidazolium hexafluorophosphate,1-methyl-3-n-octylimidazoliumhexafluorophosphate,acmc-20aj2z,dsstox_cid_27928,dsstox_rid_82681,dsstox_gsid_47952,ksc222c5l PubChem CID: 2734243 IUPAC Name: 3-methyl-1-octyl-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide SMILES: F[P-](F)(F)(F)(F)F.CCCCCCCCN1C=C[N+](C)=C1

PubChem CID 2734243
CAS 304680-36-2
Molecular Weight (g/mol) 340.29
MDL Number MFCD03427617
SMILES F[P-](F)(F)(F)(F)F.CCCCCCCCN1C=C[N+](C)=C1
Synonym 1-methyl-3-n-octylimidazolium hexafluorophosphate,3-methyl-1-octylimidazolium hexafluorophosphate,1-methyl-3-octylimidazolium hexafluorophosphate,1-octyl-3-methylimidazolium hexafluorophosphate,1-methyl-3-n-octylimidazoliumhexafluorophosphate,acmc-20aj2z,dsstox_cid_27928,dsstox_rid_82681,dsstox_gsid_47952,ksc222c5l
IUPAC Name 3-methyl-1-octyl-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide
InChI Key GRCIJNHHTXBJAK-UHFFFAOYSA-N
Molecular Formula C12H23F6N2P
835

1-Butyl-3-methylimidazolium Iodide 96.0+%, TCI America™

CAS: 65039-05-6 Molecular Formula: C8H15IN2 Molecular Weight (g/mol): 266.126 InChI Key: XREPTGNZZKNFQZ-UHFFFAOYSA-M PubChem CID: 11448496 ChEBI: CHEBI:61335 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;iodide SMILES: CCCCN1C=C[N+](=C1)C.[I-]

PubChem CID 11448496
CAS 65039-05-6
Molecular Weight (g/mol) 266.126
ChEBI CHEBI:61335
SMILES CCCCN1C=C[N+](=C1)C.[I-]
IUPAC Name 1-butyl-3-methylimidazol-3-ium;iodide
InChI Key XREPTGNZZKNFQZ-UHFFFAOYSA-M
Molecular Formula C8H15IN2
836

1,4-Bis[(1H-imidazol-1-yl)methyl]benzene 98.0+%, TCI America™

CAS: 56643-83-5 Molecular Formula: C14H14N4 Molecular Weight (g/mol): 238.29 MDL Number: MFCD06598031 InChI Key: NKUFFYFOBGGDTP-UHFFFAOYSA-N PubChem CID: 1257389 IUPAC Name: 1-({4-[(1H-imidazol-1-yl)methyl]phenyl}methyl)-1H-imidazole SMILES: C(N1C=CN=C1)C1=CC=C(CN2C=CN=C2)C=C1

PubChem CID 1257389
CAS 56643-83-5
Molecular Weight (g/mol) 238.29
MDL Number MFCD06598031
SMILES C(N1C=CN=C1)C1=CC=C(CN2C=CN=C2)C=C1
IUPAC Name 1-({4-[(1H-imidazol-1-yl)methyl]phenyl}methyl)-1H-imidazole
InChI Key NKUFFYFOBGGDTP-UHFFFAOYSA-N
Molecular Formula C14H14N4
837

1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene 98.0+%, TCI America™

CAS: 192198-85-9 Molecular Formula: C45H30N6 Molecular Weight (g/mol): 654.78 MDL Number: MFCD08276433 InChI Key: GEQBRULPNIVQPP-UHFFFAOYSA-N Synonym: 2,2′,2′′-(1,3,5-Benzenetriyl)tris(1-phenyl-1H-benzimidazole), TPBi PubChem CID: 21932919 IUPAC Name: 2-[3,5-bis(1-phenyl-1H-1,3-benzodiazol-2-yl)phenyl]-1-phenyl-1H-1,3-benzodiazole SMILES: C1=CC=C(C=C1)N1C2=CC=CC=C2N=C1C1=CC(=CC(=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1

PubChem CID 21932919
CAS 192198-85-9
Molecular Weight (g/mol) 654.78
MDL Number MFCD08276433
SMILES C1=CC=C(C=C1)N1C2=CC=CC=C2N=C1C1=CC(=CC(=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1
Synonym 2,2′,2′′-(1,3,5-Benzenetriyl)tris(1-phenyl-1H-benzimidazole), TPBi
IUPAC Name 2-[3,5-bis(1-phenyl-1H-1,3-benzodiazol-2-yl)phenyl]-1-phenyl-1H-1,3-benzodiazole
InChI Key GEQBRULPNIVQPP-UHFFFAOYSA-N
Molecular Formula C45H30N6
838

1-Butyl-3-methylimidazolium Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 174899-66-2 Molecular Formula: C9H15F3N2O3S Molecular Weight (g/mol): 288.285 MDL Number: MFCD03427620 InChI Key: FRZPYEHDSAQGAS-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium trifluoromethanesulfonate,1-butyl-3-methylimidazolium trifluoromethansulfonate,1-butyl-3-methylimidazolium triflate,c4mim triflate,bmim otf,acmc-1bwln,basionics™ vs 12,dsstox_cid_29088,dsstox_rid_83307,dsstox_gsid_49232 PubChem CID: 2734246 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate SMILES: CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

PubChem CID 2734246
CAS 174899-66-2
Molecular Weight (g/mol) 288.285
MDL Number MFCD03427620
SMILES CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
Synonym 1-butyl-3-methylimidazolium trifluoromethanesulfonate,1-butyl-3-methylimidazolium trifluoromethansulfonate,1-butyl-3-methylimidazolium triflate,c4mim triflate,bmim otf,acmc-1bwln,basionics™ vs 12,dsstox_cid_29088,dsstox_rid_83307,dsstox_gsid_49232
IUPAC Name 1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
InChI Key FRZPYEHDSAQGAS-UHFFFAOYSA-M
Molecular Formula C9H15F3N2O3S
839

2-Hydroxymethyl-1-methyl-5-nitroimidazole 98.0+%, TCI America™

CAS: 936-05-0 Molecular Formula: C5H7N3O3 Molecular Weight (g/mol): 157.129 MDL Number: MFCD00159675 InChI Key: JSAQDPJIVQMBAY-UHFFFAOYSA-N Synonym: 1-Methyl-5-nitroimidazole-2-methanol PubChem CID: 557356 IUPAC Name: (1-methyl-5-nitroimidazol-2-yl)methanol SMILES: CN1C(=CN=C1CO)[N+](=O)[O-]

PubChem CID 557356
CAS 936-05-0
Molecular Weight (g/mol) 157.129
MDL Number MFCD00159675
SMILES CN1C(=CN=C1CO)[N+](=O)[O-]
Synonym 1-Methyl-5-nitroimidazole-2-methanol
IUPAC Name (1-methyl-5-nitroimidazol-2-yl)methanol
InChI Key JSAQDPJIVQMBAY-UHFFFAOYSA-N
Molecular Formula C5H7N3O3
840

1-Butylimidazole 98.0+%, TCI America™

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

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