Imidazoles

1,1'-Carbonyldiimidazole, 97%, Alfa Aesar™

CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.152 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonylbis-1h-imidazole PubChem CID: 68263 IUPAC Name: di(imidazol-1-yl)methanone SMILES: C1=CN(C=N1)C(=O)N2C=CN=C2

Metronidazole, 99%, ACROS Organics™

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

3-(1H-Imidazol-1-yl)propanoic acid, ≥97%, Maybridge

CAS: 18999-45-6 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD02731119 InChI Key: VSFNAZLYGOOSEY-UHFFFAOYSA-N Synonym: 1h-imidazole-1-propanoic acid PubChem CID: 2794718 IUPAC Name: 3-imidazol-1-ylpropanoic acid SMILES: C1=CN(C=N1)CCC(=O)O

1,1'-Thiocarbonyldiimidazole, tech 90%, Alfa Aesar™

CAS: 6160-65-2 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.213 MDL Number: MFCD00005289 InChI Key: RAFNCPHFRHZCPS-UHFFFAOYSA-N Synonym: 1,1'-carbonothioylbis-1h-imidazole PubChem CID: 80264 IUPAC Name: di(imidazol-1-yl)methanethione SMILES: C1=CN(C=N1)C(=S)N2C=CN=C2

Urocanic acid, 98%, ACROS Organics™

CAS: 104-98-3 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00005203 InChI Key: LOIYMIARKYCTBW-UPHRSURJSA-N Synonym: 2e-3-1h-imidazol-4-yl acrylic acid PubChem CID: 1549103 ChEBI: CHEBI:30818 IUPAC Name: (Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid SMILES: C1=C(NC=N1)C=CC(=O)O

2-Bromo-4,5-dichloro-1H-imidazole, 97%, Maybridge

CAS: 16076-27-0 Molecular Formula: C3HBrCl2N2 Molecular Weight (g/mol): 215.859 MDL Number: MFCD00067894 InChI Key: SULQOTGFPPFUMG-UHFFFAOYSA-N Synonym: 1h-imidazole, 2-bromo-4,5-dichloro PubChem CID: 99484 IUPAC Name: 2-bromo-4,5-dichloro-1H-imidazole SMILES: C1(=C(N=C(N1)Br)Cl)Cl

1-Butyl-3-methylimidazolium hexafluorophosphate, 98+%, ACROS Organics™

CAS: 174501-64-5 Molecular Formula: C8H15N2·PF6 Molecular Weight (g/mol): 284.18 InChI Key: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v PubChem CID: 2734174 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;hexafluorophosphate SMILES: CCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F

Alfa Aesar™ Metronidazole, 99%

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: 2-methyl-5-nitroimidazole-1-ethanol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

1-Butyl-3-methylimidazolium chloride, 98+%, ACROS Organics™

CAS: 79917-90-1 Molecular Formula: C8H15ClN2 Molecular Weight (g/mol): 174.67 MDL Number: MFCD03095425 InChI Key: FHDQNOXQSTVAIC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium chloride PubChem CID: 2734161 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;chloride SMILES: CCCCN1C=C[N+](=C1)C.[Cl-]

1-Methylimidazole, 99%, ACROS Organics™

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.12 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazol PubChem CID: 1390 ChEBI: CHEBI:113454 IUPAC Name: 1-methylimidazole SMILES: CN1C=CN=C1

1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride, 95%, ACROS Organics™

CAS: 141556-45-8 Molecular Formula: C21H25ClN2 Molecular Weight (g/mol): 340.9 MDL Number: MFCD02684541 InChI Key: OTOSIXGMLYKKOW-UHFFFAOYSA-M Synonym: 1,3-2,4,6-trimethylphenyl imidazolium chloride PubChem CID: 2734211 IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride SMILES: CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C.[Cl-]

1,1'-Carbonyldiimidazole, 97%, ACROS Organics™

CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonylbis-1h-imidazole PubChem CID: 68263 IUPAC Name: di(imidazol-1-yl)methanone SMILES: C1=CN(C=N1)C(=O)N2C=CN=C2

Alfa Aesar™ 1-Ethyl-3-methylimidazolium acetate, 97%

CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]

Alfa Aesar™ 1,2-Dimethylimidazole, 98%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.133 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2 dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CC1=NC=CN1C

Alfa Aesar™ Ornidazole, 99%

CAS: 16773-42-5 Molecular Formula: C7H10ClN3O3 Molecular Weight (g/mol): 219.625 MDL Number: MFCD00057960 InChI Key: IPWKIXLWTCNBKN-UHFFFAOYSA-N Synonym: 1-2-hydroxy-3-chloropropyl-2-methyl-5-nitroimidazole PubChem CID: 28061 ChEBI: CHEBI:75176 IUPAC Name: 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol SMILES: CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]

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

CAS: 174501-65-6 Molecular Formula: C8H15BF4N2 Molecular Weight (g/mol): 226.026 MDL Number: MFCD03095449 InChI Key: LSBXQLQATZTAPE-UHFFFAOYSA-N Synonym: 1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate PubChem CID: 2734178 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate SMILES: [B-](F)(F)(F)F.CCCCN1C=C[N+](=C1)C

2-Amino-4,5-dicyano-1H-imidazole 97.0+%, TCI America™

CAS: 40953-34-2 Molecular Formula: C5H3N5 Molecular Weight (g/mol): 133.114 MDL Number: MFCD00129982 InChI Key: MLOXIXGLIZLPDP-UHFFFAOYSA-N Synonym: 2-Amino-4,5-imidazoledicarbonitrile PubChem CID: 170446 IUPAC Name: 2-amino-1H-imidazole-4,5-dicarbonitrile SMILES: C(#N)C1=C(N=C(N1)N)C#N

Alfa Aesar™ 1-Ethyl-3-methylimidazolium tetrafluoroborate, 98+% (dry wt.), may cont. up to 3% water

CAS: 143314-16-3 Molecular Formula: C6H11BF4N2 Molecular Weight (g/mol): 197.972 MDL Number: MFCD00216668 InChI Key: CUNYTRQQXKCRTJ-UHFFFAOYSA-N Synonym: 1-ethyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate PubChem CID: 2769348 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;tetrafluoroborate SMILES: [B-](F)(F)(F)F.CCN1C=C[N+](=C1)C

Metronidazole, 99.32%, MP Biomedicals™

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: 2-methyl-5-nitroimidazole-1-ethanol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

Prochloraz 98.0+%, TCI America™

CAS: 67747-09-5 Molecular Formula: C15H16Cl3N3O2 Molecular Weight (g/mol): 376.662 MDL Number: MFCD00078735 InChI Key: TVLSRXXIMLFWEO-UHFFFAOYSA-N Synonym: ascurit PubChem CID: 73665 ChEBI: CHEBI:8434 IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide SMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2

Alfa Aesar™ 2-Bromo-5-nitroimidazole, 98%

CAS: 65902-59-2 Molecular Formula: C3H2BrN3O2 Molecular Weight (g/mol): 191.972 MDL Number: MFCD09038915 InChI Key: UWRJWMLKEHRGOH-UHFFFAOYSA-N Synonym: 1h-imidazole, 2-bromo-4-nitro PubChem CID: 47754 IUPAC Name: 2-bromo-5-nitro-1H-imidazole SMILES: C1=C(NC(=N1)Br)[N+](=O)[O-]

ethyle4-methyl-5-imidazolecarboxylate, 98%, ACROS Organics™

CAS: 51605-32-4 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00014487 InChI Key: VLDUBDZWWNLZCU-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carboxylic acid, 5-methyl-, ethyl ester PubChem CID: 99200 IUPAC Name: ethyl 5-methyl-1H-imidazole-4-carboxylate SMILES: CCOC(=O)C1=C(NC=N1)C

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): 654.777 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-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC(=CC(=C4)C5=NC6=CC=CC=C6N5C7=CC=CC=C7)C8=NC9=CC=CC=C9N8C1=CC=CC=C1

1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole (contains 5-methyl isomer) 70.0+%, TCI America™

CAS: 23996-25-0 Molecular Formula: C9H13N3 Molecular Weight (g/mol): 163.224 InChI Key: UIDDPPKZYZTEGS-UHFFFAOYSA-N Synonym: 3-(2-Ethyl-4-methyl-1-imidazolyl)propionitrile PubChem CID: 90327 IUPAC Name: 3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile SMILES: CCC1=NC(=CN1CCC#N)C

1-Hexadecyl-3-methylimidazolium chloride monohydrate, 98%, ACROS Organics™

CAS: 404001-62-3 Molecular Formula: C20H39ClN2·H2O Molecular Weight (g/mol): 361.01 MDL Number: MFCD07773044 InChI Key: YCRGEJFZTMXLMF-UHFFFAOYSA-M Synonym: 1-hexadecyl-3-methyl-1h-imidazol-3-ium chloride hydrate PubChem CID: 60160661 IUPAC Name: 1-hexadecyl-3-methylimidazol-3-ium;chloride;hydrate SMILES: CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.O.[Cl-]

1,1′-Carbonyldiimidazole 97.0+%, TCI America™

CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.152 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonylbis-1h-imidazole PubChem CID: 68263 IUPAC Name: di(imidazol-1-yl)methanone SMILES: C1=CN(C=N1)C(=O)N2C=CN=C2

VER 155008, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 1134156-31-2 Molecular Formula: C25H23Cl2N7O4 Molecular Weight (g/mol): 556.404 InChI Key: ZXGGCBQORXDVTE-UMCMBGNQSA-N Synonym: 3fd PubChem CID: 25195348 IUPAC Name: 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl]benzonitrile SMILES: C1=CC(=CC=C1COCC2C(C(C(O2)N3C4=C(C(=NC=N4)N)N=C3NCC5=CC(=C(C=C5)Cl)Cl)O)O)C#N

SB 431542, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 301836-41-9 Molecular Formula: C22H16N4O3 Molecular Weight (g/mol): 384.395 InChI Key: FHYUGAJXYORMHI-UHFFFAOYSA-N Synonym: 4-4-1,3-benzodioxol-5-yl-5-2-pyridinyl-1h-imidazol-2-yl benzamide PubChem CID: 4521392 IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide SMILES: C1OC2=C(O1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5

Alfa Aesar™ 1-(Trifluoroacetyl)imidazole, 98+%

CAS: 1546-79-8 Molecular Formula: C5H3F3N2O Molecular Weight (g/mol): 164.087 MDL Number: MFCD00014501 InChI Key: SINBGNJPYWNUQI-UHFFFAOYSA-N Synonym: 1-trifluoroacetyl imidazole PubChem CID: 73767 IUPAC Name: 2,2,2-trifluoro-1-imidazol-1-ylethanone SMILES: C1=CN(C=N1)C(=O)C(F)(F)F

1-Butyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide 98.0+%, TCI America™

CAS: 174899-83-3 Molecular Formula: C10H15F6N3O4S2 Molecular Weight (g/mol): 419.357 MDL Number: MFCD05664714 InChI Key: INDFXCHYORWHLQ-UHFFFAOYSA-N PubChem CID: 11258643 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-butyl-3-methylimidazol-3-ium SMILES: CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

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