2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide

C227H210F2N36O19 — CID 158150432

IUPAC2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CC6CCC5CC6)cc4[nH]3)cc2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5CC6CCC5CC6)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)[nH]c3c2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)nc1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1
InChIInChI=1S/2C30H30N4O3.C28H21FN4O3.C28H27FN4O2.3C28H27N5O2.C27H21N5O2/c1-37-24-13-11-23(12-14-24)31-30(36)22-10-15-25-27(17-22)33-28(32-25)20-6-8-21(9-7-20)29(35)34-26-16-18-2-4-19(26)5-3-18;1-37-24-13-11-23(12-14-24)31-29(35)21-8-6-20(7-9-21)28-32-25-15-10-22(17-27(25)33-28)30(36)34-26-16-18-2-4-19(26)5-3-18;1-36-23-13-11-22(12-14-23)31-28(35)19-6-15-24-25(16-19)33-26(32-24)17-2-4-18(5-3-17)27(34)30-21-9-7-20(29)8-10-21;1-17-4-2-3-5-23(17)33-27(34)19-8-6-18(7-9-19)26-31-24-15-10-20(16-25(24)32-26)28(35)30-22-13-11-21(29)12-14-22;34-27(30-22-11-13-29-14-12-22)20-7-5-19(6-8-20)26-31-23-10-9-21(16-25(23)32-26)28(35)33-24-15-17-1-3-18(24)4-2-17;34-27(30-22-2-1-13-29-16-22)20-9-7-19(8-10-20)26-31-23-12-11-21(15-25(23)32-26)28(35)33-24-14-17-3-5-18(24)6-4-17;34-27(33-25-3-1-2-14-29-25)20-10-8-19(9-11-20)26-30-22-13-12-21(16-24(22)31-26)28(35)32-23-15-17-4-6-18(23)7-5-17;1-17-7-14-24(28-16-17)32-26(33)19-10-8-18(9-11-19)25-30-22-13-12-20(15-23(22)31-25)27(34)29-21-5-3-2-4-6-21/h6-15,17-19,26H,2-5,16H2,1H3,(H,31,36)(H,32,33)(H,34,35);6-15,17-19,26H,2-5,16H2,1H3,(H,31,35)(H,32,33)(H,34,36);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);6-17,23H,2-5H2,1H3,(H,30,35)(H,31,32)(H,33,34);5-14,16-18,24H,1-4,15H2,(H,31,32)(H,33,35)(H,29,30,34);1-2,7-13,15-18,24H,3-6,14H2,(H,30,34)(H,31,32)(H,33,35);1-3,8-14,16-18,23H,4-7,15H2,(H,30,31)(H,32,35)(H,29,33,34);2-16H,1H3,(H,29,34)(H,30,31)(H,28,32,33)
InChIKeyFVAQUYHJCQQWDI-UHFFFAOYSA-N
MW3784.41 g/mol
LogP44.41
Rot. Bonds43

About 2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide

2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 158150432) has the molecular formula C227H210F2N36O19 and a molecular weight of 3784.41 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID158150432
Molecular FormulaC227H210F2N36O19
Molecular Weight3784.41 g/mol
Exact Mass3781.65
IUPAC Name2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CC6CCC5CC6)cc4[nH]3)cc2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5CC6CCC5CC6)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)[nH]c3c2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)nc1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1
InChIInChI=1S/2C30H30N4O3.C28H21FN4O3.C28H27FN4O2.3C28H27N5O2.C27H21N5O2/c1-37-24-13-11-23(12-14-24)31-30(36)22-10-15-25-27(17-22)33-28(32-25)20-6-8-21(9-7-20)29(35)34-26-16-18-2-4-19(26)5-3-18;1-37-24-13-11-23(12-14-24)31-29(35)21-8-6-20(7-9-21)28-32-25-15-10-22(17-27(25)33-28)30(36)34-26-16-18-2-4-19(26)5-3-18;1-36-23-13-11-22(12-14-23)31-28(35)19-6-15-24-25(16-19)33-26(32-24)17-2-4-18(5-3-17)27(34)30-21-9-7-20(29)8-10-21;1-17-4-2-3-5-23(17)33-27(34)19-8-6-18(7-9-19)26-31-24-15-10-20(16-25(24)32-26)28(35)30-22-13-11-21(29)12-14-22;34-27(30-22-11-13-29-14-12-22)20-7-5-19(6-8-20)26-31-23-10-9-21(16-25(23)32-26)28(35)33-24-15-17-1-3-18(24)4-2-17;34-27(30-22-2-1-13-29-16-22)20-9-7-19(8-10-20)26-31-23-12-11-21(15-25(23)32-26)28(35)33-24-14-17-3-5-18(24)6-4-17;34-27(33-25-3-1-2-14-29-25)20-10-8-19(9-11-20)26-30-22-13-12-21(16-24(22)31-26)28(35)32-23-15-17-4-6-18(23)7-5-17;1-17-7-14-24(28-16-17)32-26(33)19-10-8-18(9-11-19)25-30-22-13-12-20(15-23(22)31-25)27(34)29-21-5-3-2-4-6-21/h6-15,17-19,26H,2-5,16H2,1H3,(H,31,36)(H,32,33)(H,34,35);6-15,17-19,26H,2-5,16H2,1H3,(H,31,35)(H,32,33)(H,34,36);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);6-17,23H,2-5H2,1H3,(H,30,35)(H,31,32)(H,33,34);5-14,16-18,24H,1-4,15H2,(H,31,32)(H,33,35)(H,29,30,34);1-2,7-13,15-18,24H,3-6,14H2,(H,30,34)(H,31,32)(H,33,35);1-3,8-14,16-18,23H,4-7,15H2,(H,30,31)(H,32,35)(H,29,33,34);2-16H,1H3,(H,29,34)(H,30,31)(H,28,32,33)
InChIKeyFVAQUYHJCQQWDI-UHFFFAOYSA-N
XLogP44.41
TPSA774.29 Ų
H-Bond Donors24
H-Bond Acceptors31
Rotatable Bonds43
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003784.41
LogP ≤ 544.41
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1031

Analyze 2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-[5-[[5-[[(3R)-4-[[5-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-[4-[4-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carboxamide
CID 155532315
N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(2R)-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]-2-[4-[4-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]butanoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide
CID 155560521
[2-[2-[(3aS,7aR)-6-[7-methoxy-1-methyl-2-[7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]benzimidazole-5-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129230255
[(3aS,7aS)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[2-[(3aS,7aR)-6-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-ethyl-7-methoxybenzimidazole-5-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 129230256
[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[7-methoxy-1-methyl-2-[7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]benzimidazol-5-yl]methanone;1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[7-methoxy-1-methyl-2-[7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]benzimidazol-5-yl]methanone
CID 145329766
N-[4-(difluoromethoxy)phenyl]-4-fluoro-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethyl)phenyl]pyrazin-2-amine;4-[[6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzaldehyde;6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 157993298
N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 158566470
2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile
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[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-(1,4-diazepan-1-yl)methanone
CID 159632316
N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 159847367
1-(3H-benzimidazol-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1H-indol-5-yl)-4-phenylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(1H-indol-5-yl)-4-pyridin-4-ylbutane-1,4-dione
CID 160191476

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide (CID 158150432) is 2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide is CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CC6CCC5CC6)cc4[nH]3)cc2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5CC6CCC5CC6)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)[nH]c3c2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)nc1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4CC5)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is FVAQUYHJCQQWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H30N4O3.C28H21FN4O3.C28H27FN4O2.3C28H27N5O2.C27H21N5O2/c1-37-24-13-11-23(12-14-24)31-30(36)22-10-15-25-27(17-22)33-28(32-25)20-6-8-21(9-7-20)29(35)34-26-16-18-2-4-19(26)5-3-18;1-37-24-13-11-23(12-14-24)31-29(35)21-8-6-20(7-9-21)28-32-25-15-10-22(17-27(25)33-28)30(36)34-26-16-18-2-4-19(26)5-3-18;1-36-23-13-11-22(12-14-23)31-28(35)19-6-15-24-25(16-19)33-26(32-24)17-2-4-18(5-3-17)27(34)30-21-9-7-20(29)8-10-21;1-17-4-2-3-5-23(17)33-27(34)19-8-6-18(7-9-19)26-31-24-15-10-20(16-25(24)32-26)28(35)30-22-13-11-21(29)12-14-22;34-27(30-22-11-13-29-14-12-22)20-7-5-19(6-8-20)26-31-23-10-9-21(16-25(23)32-26)28(35)33-24-15-17-1-3-18(24)4-2-17;34-27(30-22-2-1-13-29-16-22)20-9-7-19(8-10-20)26-31-23-12-11-21(15-25(23)32-26)28(35)33-24-14-17-3-5-18(24)6-4-17;34-27(33-25-3-1-2-14-29-25)20-10-8-19(9-11-20)26-30-22-13-12-21(16-24(22)31-26)28(35)32-23-15-17-4-6-18(23)7-5-17;1-17-7-14-24(28-16-17)32-26(33)19-10-8-18(9-11-19)25-30-22-13-12-20(15-23(22)31-25)27(34)29-21-5-3-2-4-6-21/h6-15,17-19,26H,2-5,16H2,1H3,(H,31,36)(H,32,33)(H,34,35);6-15,17-19,26H,2-5,16H2,1H3,(H,31,35)(H,32,33)(H,34,36);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);6-17,23H,2-5H2,1H3,(H,30,35)(H,31,32)(H,33,34);5-14,16-18,24H,1-4,15H2,(H,31,32)(H,33,35)(H,29,30,34);1-2,7-13,15-18,24H,3-6,14H2,(H,30,34)(H,31,32)(H,33,35);1-3,8-14,16-18,23H,4-7,15H2,(H,30,31)(H,32,35)(H,29,33,34);2-16H,1H3,(H,29,34)(H,30,31)(H,28,32,33).
What are the key properties of 2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide?
2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 3784.41 g/mol, XLogP of 44.41, 43 rotatable bonds, 24 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.2]octanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 158150432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).