1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide

C110H105F6N17O17S — CID 158706400

IUPAC1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc2c(c1)cc(N1CCCC1C)n2-c1ccc(F)cc1.COc1cc2c(cc1C(N)=O)nc(N1CCOCC1)n2-c1cccnc1.COc1nc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1.Cc1cc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1.O=C(O)c1cc2nc(N3CCOCC3)n(C3CCCCC3)c2cc1C(F)(F)F.O=C(O)c1ccc2c(c1)nc(N1CCCCC1)n2-c1cc2ccccc2o1
InChIInChI=1S/C21H22FN3O3S.C21H19N3O3.C19H22F3N3O3.C18H19N5O3.C16H12FNO2.C15H11FN2O3/c1-14-4-3-11-24(14)21-13-16-12-19(29(27,28)23-15(2)26)9-10-20(16)25(21)18-7-5-17(22)6-8-18;25-20(26)15-8-9-17-16(12-15)22-21(23-10-4-1-5-11-23)24(17)19-13-14-6-2-3-7-18(14)27-19;20-19(21,22)14-11-16-15(10-13(14)17(26)27)23-18(24-6-8-28-9-7-24)25(16)12-4-2-1-3-5-12;1-25-16-10-15-14(9-13(16)17(19)24)21-18(22-5-7-26-8-6-22)23(15)12-3-2-4-20-11-12;1-10-8-12-9-11(16(19)20)2-7-15(12)18(10)14-5-3-13(17)4-6-14;1-21-15-17-12-8-9(14(19)20)2-7-13(12)18(15)11-5-3-10(16)4-6-11/h5-10,12-14H,3-4,11H2,1-2H3,(H,23,26);2-3,6-9,12-13H,1,4-5,10-11H2,(H,25,26);10-12H,1-9H2,(H,26,27);2-4,9-11H,5-8H2,1H3,(H2,19,24);2-9H,1H3,(H,19,20);2-8H,1H3,(H,19,20)
InChIKeyIIDYULZHEHIFNN-UHFFFAOYSA-N
MW2083.21 g/mol
LogP20.15
Rot. Bonds19

About 1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide

1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide (PubChem CID 158706400) has the molecular formula C110H105F6N17O17S and a molecular weight of 2083.21 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide
PubChem CID158706400
Molecular FormulaC110H105F6N17O17S
Molecular Weight2083.21 g/mol
Exact Mass2081.75
IUPAC Name1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc2c(c1)cc(N1CCCC1C)n2-c1ccc(F)cc1.COc1cc2c(cc1C(N)=O)nc(N1CCOCC1)n2-c1cccnc1.COc1nc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1.Cc1cc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1.O=C(O)c1cc2nc(N3CCOCC3)n(C3CCCCC3)c2cc1C(F)(F)F.O=C(O)c1ccc2c(c1)nc(N1CCCCC1)n2-c1cc2ccccc2o1
InChIInChI=1S/C21H22FN3O3S.C21H19N3O3.C19H22F3N3O3.C18H19N5O3.C16H12FNO2.C15H11FN2O3/c1-14-4-3-11-24(14)21-13-16-12-19(29(27,28)23-15(2)26)9-10-20(16)25(21)18-7-5-17(22)6-8-18;25-20(26)15-8-9-17-16(12-15)22-21(23-10-4-1-5-11-23)24(17)19-13-14-6-2-3-7-18(14)27-19;20-19(21,22)14-11-16-15(10-13(14)17(26)27)23-18(24-6-8-28-9-7-24)25(16)12-4-2-1-3-5-12;1-25-16-10-15-14(9-13(16)17(19)24)21-18(22-5-7-26-8-6-22)23(15)12-3-2-4-20-11-12;1-10-8-12-9-11(16(19)20)2-7-15(12)18(10)14-5-3-13(17)4-6-14;1-21-15-17-12-8-9(14(19)20)2-7-13(12)18(15)11-5-3-10(16)4-6-11/h5-10,12-14H,3-4,11H2,1-2H3,(H,23,26);2-3,6-9,12-13H,1,4-5,10-11H2,(H,25,26);10-12H,1-9H2,(H,26,27);2-4,9-11H,5-8H2,1H3,(H2,19,24);2-9H,1H3,(H,19,20);2-8H,1H3,(H,19,20)
InChIKeyIIDYULZHEHIFNN-UHFFFAOYSA-N
XLogP20.15
TPSA412.58 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002083.21
LogP ≤ 520.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide with MolForge

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Related Compounds

1-(1-benzofuran-2-yl)-6-oxo-2-piperidin-1-yl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide
CID 158203882
1-Cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-morpholin-4-ylindole-5-sulfonamide;1-(4-fluorophenyl)-2-methoxyindole-5-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylindol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylindole-5-carboxamide
CID 158245623
1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;[1-(4-fluorophenyl)-2-[methyl(pyridin-3-yl)amino]-6-(trifluoromethyl)indol-5-yl]boronic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide
CID 158396308
1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)indole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide
CID 160406633
1-(1-Benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;[1-(4-fluorophenyl)-2-[methyl(pyridin-3-yl)amino]-6-(trifluoromethyl)indol-5-yl]boronic acid;1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)indole-5-carboxylic acid
CID 161064513
CID 163923996
CID 163923996
N-acetyl-2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxamide;1-(1-benzofuran-2-yl)-2-piperidin-1-ylindole-5-carboxylic acid;1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]indole-5-carboxylic acid;2-(4-fluorophenyl)-N-methyl-3-[methyl(propan-2-yl)amino]quinoxaline-6-sulfonamide;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]-N-methylsulfonylquinoxaline-6-carboxamide;N-[2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxalin-6-yl]sulfonylacetamide
CID 159249940
1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylbenzimidazol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide
CID 160291870
N-[1-(1-adamantyl)-6-(hydroxymethyl)-3H-indol-2-ylidene]-3-(prop-2-enylsulfamoyl)benzamide;N-[1-(1-adamantyl)-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide;ethyl 4-[6-(2-hydroxyethoxy)-2-(3-methylbenzoyl)imino-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;N-[6-hydroxy-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-methyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;bis(sulfur dioxide)
CID 160707427
1-(4-fluorophenyl)-6-hydroxy-2-[methyl(propan-2-yl)amino]benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-N-methyl-2-[methyl(propan-2-yl)amino]benzimidazole-5-sulfonamide;[1-(4-fluorophenyl)-6-propan-2-yl-2-propan-2-ylsulfanylbenzimidazol-5-yl]phosphonic acid;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide
CID 160953066

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide (CID 158706400) is 1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide is CC(=O)NS(=O)(=O)c1ccc2c(c1)cc(N1CCCC1C)n2-c1ccc(F)cc1.COc1cc2c(cc1C(N)=O)nc(N1CCOCC1)n2-c1cccnc1.COc1nc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1.Cc1cc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1.O=C(O)c1cc2nc(N3CCOCC3)n(C3CCCCC3)c2cc1C(F)(F)F.O=C(O)c1ccc2c(c1)nc(N1CCCCC1)n2-c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide?
The InChIKey is IIDYULZHEHIFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S.C21H19N3O3.C19H22F3N3O3.C18H19N5O3.C16H12FNO2.C15H11FN2O3/c1-14-4-3-11-24(14)21-13-16-12-19(29(27,28)23-15(2)26)9-10-20(16)25(21)18-7-5-17(22)6-8-18;25-20(26)15-8-9-17-16(12-15)22-21(23-10-4-1-5-11-23)24(17)19-13-14-6-2-3-7-18(14)27-19;20-19(21,22)14-11-16-15(10-13(14)17(26)27)23-18(24-6-8-28-9-7-24)25(16)12-4-2-1-3-5-12;1-25-16-10-15-14(9-13(16)17(19)24)21-18(22-5-7-26-8-6-22)23(15)12-3-2-4-20-11-12;1-10-8-12-9-11(16(19)20)2-7-15(12)18(10)14-5-3-13(17)4-6-14;1-21-15-17-12-8-9(14(19)20)2-7-13(12)18(15)11-5-3-10(16)4-6-11/h5-10,12-14H,3-4,11H2,1-2H3,(H,23,26);2-3,6-9,12-13H,1,4-5,10-11H2,(H,25,26);10-12H,1-9H2,(H,26,27);2-4,9-11H,5-8H2,1H3,(H2,19,24);2-9H,1H3,(H,19,20);2-8H,1H3,(H,19,20).
What are the key properties of 1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide?
1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide has a molecular weight of 2083.21 g/mol, XLogP of 20.15, 19 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-piperidin-1-ylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-morpholin-4-yl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methoxybenzimidazole-5-carboxylic acid;1-(4-fluorophenyl)-2-methylindole-5-carboxylic acid;N-[1-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)indol-5-yl]sulfonylacetamide;6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 158706400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).