2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid

C160H116F3N17O19 — CID 158387628

IUPAC2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(-n3ccccc3=O)cc1)=N2.O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(F)c4F)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc12.O=C(O)c1cccc2c1CC(c1ccc(-c3ccccc3)cc1)=C2.O=C(O)c1cccc2c1CC(c1ccc(-n3ccccc3=O)cc1)=N2.O=C(O)c1cccc2c1CC(c1ccc(N3CCOCC3)cc1)=N2
InChIInChI=1S/C22H16O2.C21H16N2O3.C20H12F2N2O2.C20H15N3O2.C20H14N2O3.C19H12FN3O2.C19H13N3O2.C19H18N2O3/c23-22(24)20-8-4-7-18-13-19(14-21(18)20)17-11-9-16(10-12-17)15-5-2-1-3-6-15;1-13-10-17(21(25)26)16-12-18(22-19(16)11-13)14-5-7-15(8-6-14)23-9-3-2-4-20(23)24;21-15-5-1-3-13(17(15)22)11-7-9-12(10-8-11)19-23-16-6-2-4-14(20(25)26)18(16)24-19;1-12-9-16(20(24)25)18-17(10-12)22-19(23-18)14-6-4-13(5-7-14)15-3-2-8-21-11-15;23-19-6-1-2-11-22(19)14-9-7-13(8-10-14)18-12-16-15(20(24)25)4-3-5-17(16)21-18;20-14-8-15(19(24)25)17-16(9-14)22-18(23-17)12-5-3-11(4-6-12)13-2-1-7-21-10-13;23-19(24)15-2-1-3-16-17(15)22-18(21-16)14-6-4-12(5-7-14)13-8-10-20-11-9-13;22-19(23)15-2-1-3-17-16(15)12-18(20-17)13-4-6-14(7-5-13)21-8-10-24-11-9-21/h1-13H,14H2,(H,23,24);2-11H,12H2,1H3,(H,25,26);1-10H,(H,23,24)(H,25,26);2-11H,1H3,(H,22,23)(H,24,25);1-11H,12H2,(H,24,25);1-10H,(H,22,23)(H,24,25);1-11H,(H,21,22)(H,23,24);1-7H,8-12H2,(H,22,23)
InChIKeyGWOAZPQEGYGXSQ-UHFFFAOYSA-N
MW2637.78 g/mol
LogP32.07
Rot. Bonds24

About 2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid

2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 158387628) has the molecular formula C160H116F3N17O19 and a molecular weight of 2637.78 g/mol. Its IUPAC name is 2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID158387628
Molecular FormulaC160H116F3N17O19
Molecular Weight2637.78 g/mol
Exact Mass2635.86
IUPAC Name2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(-n3ccccc3=O)cc1)=N2.O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(F)c4F)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc12.O=C(O)c1cccc2c1CC(c1ccc(-c3ccccc3)cc1)=C2.O=C(O)c1cccc2c1CC(c1ccc(-n3ccccc3=O)cc1)=N2.O=C(O)c1cccc2c1CC(c1ccc(N3CCOCC3)cc1)=N2
InChIInChI=1S/C22H16O2.C21H16N2O3.C20H12F2N2O2.C20H15N3O2.C20H14N2O3.C19H12FN3O2.C19H13N3O2.C19H18N2O3/c23-22(24)20-8-4-7-18-13-19(14-21(18)20)17-11-9-16(10-12-17)15-5-2-1-3-6-15;1-13-10-17(21(25)26)16-12-18(22-19(16)11-13)14-5-7-15(8-6-14)23-9-3-2-4-20(23)24;21-15-5-1-3-13(17(15)22)11-7-9-12(10-8-11)19-23-16-6-2-4-14(20(25)26)18(16)24-19;1-12-9-16(20(24)25)18-17(10-12)22-19(23-18)14-6-4-13(5-7-14)15-3-2-8-21-11-15;23-19-6-1-2-11-22(19)14-9-7-13(8-10-14)18-12-16-15(20(24)25)4-3-5-17(16)21-18;20-14-8-15(19(24)25)17-16(9-14)22-18(23-17)12-5-3-11(4-6-12)13-2-1-7-21-10-13;23-19(24)15-2-1-3-16-17(15)22-18(21-16)14-6-4-12(5-7-14)13-8-10-20-11-9-13;22-19(23)15-2-1-3-17-16(15)12-18(20-17)13-4-6-14(7-5-13)21-8-10-24-11-9-21/h1-13H,14H2,(H,23,24);2-11H,12H2,1H3,(H,25,26);1-10H,(H,23,24)(H,25,26);2-11H,1H3,(H,22,23)(H,24,25);1-11H,12H2,(H,24,25);1-10H,(H,22,23)(H,24,25);1-11H,(H,21,22)(H,23,24);1-7H,8-12H2,(H,22,23)
InChIKeyGWOAZPQEGYGXSQ-UHFFFAOYSA-N
XLogP32.07
TPSA545.34 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002637.78
LogP ≤ 532.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid with MolForge

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Related Compounds

Sodium;2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetic acid;ethyl 2-[2-[[8-[3-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 2-[2-[[8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methylamino]phenyl]acetate;methane;8-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide
CID 158220311
2-methyl-6-(3-methylmorpholin-4-yl)-1H-benzimidazole-4-carboxylic acid;2-methyl-1-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 158244716
bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
CID 158473457
3-Methyl-6-[2,3,5,6-tetrafluoro-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-[2,3,5,6-tetrafluoro-4-[3-(piperidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-[2,3,5,6-tetrafluoro-4-[3-[(propan-2-ylamino)methyl]phenyl]phenyl]benzimidazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 158528362
5-[1-[(6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]pyridine-3-carboxylic acid;(2S,5R)-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]oxane-2-carboxamide;(3S,4R)-1-[(3R,6S)-6-cyclopropyl-6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]oxan-3-yl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid;5-[(2S)-4-[(3R,6S)-6-cyclopropyl-6-[2-[3-(trifluoromethyl)phenyl]ethylcarbamoyl]oxan-3-yl]-2-methylpiperazin-1-yl]-2-fluorobenzoic acid
CID 158603156
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 158721288
6-[4-(3-Acetamidophenyl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;3-methyl-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-[2,3,5,6-tetrafluoro-4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-[2,3,5,6-tetrafluoro-4-[3-(piperidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 158891665
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 159028582
3-Methyl-6-[2,3,5,6-tetrafluoro-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-[2,3,5,6-tetrafluoro-4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-[2,3,5,6-tetrafluoro-4-[3-(piperidin-1-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;3-methyl-6-[2,3,5,6-tetrafluoro-4-[3-[(propan-2-ylamino)methyl]phenyl]phenyl]benzimidazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 159195161
N-cyclobutyl-2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-7-methyl-3H-benzimidazole-5-carboxamide;methyl 2-[(1S)-1-[4-(6-fluoroquinolin-5-yl)cyclohexyl]ethyl]-7-(trifluoromethyl)-3H-benzimidazole-4-carboxylate;methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-7-(trifluoromethyl)-3H-benzimidazole-4-carboxylate
CID 159367096
[6-[2-(aminomethyl)-3,7-dimethylbenzimidazol-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-1-(6-amino-3-pyridinyl)-5-[6-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1,4-dimethylbenzimidazol-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;tert-butyl 3-[6-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1,4-dimethylbenzimidazol-2-yl]propanoate;tert-butyl 3-[6-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-4-methyl-1H-benzimidazol-2-yl]propanoate;iodomethane
CID 159487244
acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine
CID 159607002

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 158387628) is 2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(-n3ccccc3=O)cc1)=N2.O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(F)c4F)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc12.O=C(O)c1cccc2c1CC(c1ccc(-c3ccccc3)cc1)=C2.O=C(O)c1cccc2c1CC(c1ccc(-n3ccccc3=O)cc1)=N2.O=C(O)c1cccc2c1CC(c1ccc(N3CCOCC3)cc1)=N2.
What is the InChIKey of 2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is GWOAZPQEGYGXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2.C21H16N2O3.C20H12F2N2O2.C20H15N3O2.C20H14N2O3.C19H12FN3O2.C19H13N3O2.C19H18N2O3/c23-22(24)20-8-4-7-18-13-19(14-21(18)20)17-11-9-16(10-12-17)15-5-2-1-3-6-15;1-13-10-17(21(25)26)16-12-18(22-19(16)11-13)14-5-7-15(8-6-14)23-9-3-2-4-20(23)24;21-15-5-1-3-13(17(15)22)11-7-9-12(10-8-11)19-23-16-6-2-4-14(20(25)26)18(16)24-19;1-12-9-16(20(24)25)18-17(10-12)22-19(23-18)14-6-4-13(5-7-14)15-3-2-8-21-11-15;23-19-6-1-2-11-22(19)14-9-7-13(8-10-14)18-12-16-15(20(24)25)4-3-5-17(16)21-18;20-14-8-15(19(24)25)17-16(9-14)22-18(23-17)12-5-3-11(4-6-12)13-2-1-7-21-10-13;23-19(24)15-2-1-3-16-17(15)22-18(21-16)14-6-4-12(5-7-14)13-8-10-20-11-9-13;22-19(23)15-2-1-3-17-16(15)12-18(20-17)13-4-6-14(7-5-13)21-8-10-24-11-9-21/h1-13H,14H2,(H,23,24);2-11H,12H2,1H3,(H,25,26);1-10H,(H,23,24)(H,25,26);2-11H,1H3,(H,22,23)(H,24,25);1-11H,12H2,(H,24,25);1-10H,(H,22,23)(H,24,25);1-11H,(H,21,22)(H,23,24);1-7H,8-12H2,(H,22,23).
What are the key properties of 2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 2637.78 g/mol, XLogP of 32.07, 24 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 158387628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).