C316H295N61O41S2 — CID 158371012
N-[4-[1-acetyl-5-(cyclohexanecarbonylamino)benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-4-carboxamide;N-[4-[6-(cyclohexene-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexene-1-carboxamide;N-[4-[5-[(2,6-dihydroxypyridine-4-carbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,6-dihydroxypyridine-4-carboxamide;N-[4-[5-[(2,6-dimethoxypyridine-3-carbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,6-dimethoxypyridine-3-carboxamide;ethyl 5-(cyclohexanecarbonylamino)-2-[4-(cyclohexanecarbonylamino)phenyl]benzimidazole-1-carboxylate;N-[4-[6-(furan-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]furan-2-carboxamide;N-[4-[6-(1,2-oxazole-5-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,2-oxazole-5-carboxamide;N-[4-[6-(pyridine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-2-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide;4,7,7-trimethyl-3-oxo-N-[4-[6-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 158371012) has the molecular formula C316H295N61O41S2 and a molecular weight of 5667.36 g/mol. Its IUPAC name is N-[4-[1-acetyl-5-(cyclohexanecarbonylamino)benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-4-carboxamide;N-[4-[6-(cyclohexene-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexene-1-carboxamide;N-[4-[5-[(2,6-dihydroxypyridine-4-carbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,6-dihydroxypyridine-4-carboxamide;N-[4-[5-[(2,6-dimethoxypyridine-3-carbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,6-dimethoxypyridine-3-carboxamide;ethyl 5-(cyclohexanecarbonylamino)-2-[4-(cyclohexanecarbonylamino)phenyl]benzimidazole-1-carboxylate;N-[4-[6-(furan-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]furan-2-carboxamide;N-[4-[6-(1,2-oxazole-5-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,2-oxazole-5-carboxamide;N-[4-[6-(pyridine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-2-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide;4,7,7-trimethyl-3-oxo-N-[4-[6-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
| Compound Name | N-[4-[1-acetyl-5-(cyclohexanecarbonylamino)benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-4-carboxamide;N-[4-[6-(cyclohexene-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexene-1-carboxamide;N-[4-[5-[(2,6-dihydroxypyridine-4-carbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,6-dihydroxypyridine-4-carboxamide;N-[4-[5-[(2,6-dimethoxypyridine-3-carbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,6-dimethoxypyridine-3-carboxamide;ethyl 5-(cyclohexanecarbonylamino)-2-[4-(cyclohexanecarbonylamino)phenyl]benzimidazole-1-carboxylate;N-[4-[6-(furan-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]furan-2-carboxamide;N-[4-[6-(1,2-oxazole-5-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,2-oxazole-5-carboxamide;N-[4-[6-(pyridine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-2-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide;4,7,7-trimethyl-3-oxo-N-[4-[6-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide |
|---|---|
| PubChem CID | 158371012 |
| Molecular Formula | C316H295N61O41S2 |
| Molecular Weight | 5667.36 g/mol |
| Exact Mass | 5663.23 |
| IUPAC Name | N-[4-[1-acetyl-5-(cyclohexanecarbonylamino)benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-4-carboxamide;N-[4-[6-(cyclohexene-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexene-1-carboxamide;N-[4-[5-[(2,6-dihydroxypyridine-4-carbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,6-dihydroxypyridine-4-carboxamide;N-[4-[5-[(2,6-dimethoxypyridine-3-carbonyl)amino]-1H-benzimidazol-2-yl]phenyl]-2,6-dimethoxypyridine-3-carboxamide;ethyl 5-(cyclohexanecarbonylamino)-2-[4-(cyclohexanecarbonylamino)phenyl]benzimidazole-1-carboxylate;N-[4-[6-(furan-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]furan-2-carboxamide;N-[4-[6-(1,2-oxazole-5-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,2-oxazole-5-carboxamide;N-[4-[6-(pyridine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-2-carboxamide;N-[4-[6-(pyridine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide;4,7,7-trimethyl-3-oxo-N-[4-[6-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide |
| SMILES | CC(=O)n1c(-c2ccc(NC(=O)C3CCCCC3)cc2)nc2cc(NC(=O)C3CCCCC3)ccc21.CC12CCC(C(C(=O)Nc3ccc(-c4nc5ccc(NC(=O)C6C(=O)C7(C)CCC6C7(C)C)cc5[nH]4)cc3)C1=O)C2(C)C.CCOC(=O)n1c(-c2ccc(NC(=O)C3CCCCC3)cc2)nc2cc(NC(=O)C3CCCCC3)ccc21.COc1ccc(C(=O)Nc2ccc(-c3nc4cc(NC(=O)c5ccc(OC)nc5OC)ccc4[nH]3)cc2)c(OC)n1.O=C(Nc1ccc(-c2nc3cc(NC(=O)c4cc(O)nc(O)c4)ccc3[nH]2)cc1)c1cc(O)nc(O)c1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4=CCCCC4)cc3[nH]2)cc1)C1=CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CSCN4)cc3[nH]2)cc1)C1CSCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccccn4)cc3[nH]2)cc1)c1ccccn1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccco4)cc3[nH]2)cc1)c1ccco1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccncc4)cc3[nH]2)cc1)c1ccncc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccno4)cc3[nH]2)cc1)c1ccno1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1)c1ccncc1 |
| InChI | InChI=1S/C35H40N4O4.C30H36N4O4.C29H26N6O6.C29H34N4O3.C27H28N4O2.C26H25N5O2.C25H18N6O6.2C25H18N6O2.C23H16N4O4.C21H14N6O4.C21H22N6O2S2/c1-32(2)21-13-15-34(32,5)27(40)25(21)30(42)36-19-9-7-18(8-10-19)29-38-23-12-11-20(17-24(23)39-29)37-31(43)26-22-14-16-35(6,28(26)41)33(22,3)4;1-2-38-30(37)34-26-18-17-24(32-29(36)22-11-7-4-8-12-22)19-25(26)33-27(34)20-13-15-23(16-14-20)31-28(35)21-9-5-3-6-10-21;1-38-23-13-10-19(28(34-23)40-3)26(36)30-17-7-5-16(6-8-17)25-32-21-12-9-18(15-22(21)33-25)31-27(37)20-11-14-24(39-2)35-29(20)41-4;1-19(34)33-26-17-16-24(31-29(36)22-10-6-3-7-11-22)18-25(26)32-27(33)20-12-14-23(15-13-20)30-28(35)21-8-4-2-5-9-21;32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20;32-25(18-4-2-1-3-5-18)28-20-8-6-17(7-9-20)24-30-22-11-10-21(16-23(22)31-24)29-26(33)19-12-14-27-15-13-19;32-19-7-13(8-20(33)30-19)24(36)26-15-3-1-12(2-4-15)23-28-17-6-5-16(11-18(17)29-23)27-25(37)14-9-21(34)31-22(35)10-14;32-24(17-7-11-26-12-8-17)28-19-3-1-16(2-4-19)23-30-21-6-5-20(15-22(21)31-23)29-25(33)18-9-13-27-14-10-18;32-24(20-5-1-3-13-26-20)28-17-9-7-16(8-10-17)23-30-19-12-11-18(15-22(19)31-23)29-25(33)21-6-2-4-14-27-21;28-22(19-3-1-11-30-19)24-15-7-5-14(6-8-15)21-26-17-10-9-16(13-18(17)27-21)25-23(29)20-4-2-12-31-20;28-20(17-7-9-22-30-17)24-13-3-1-12(2-4-13)19-26-15-6-5-14(11-16(15)27-19)25-21(29)18-8-10-23-31-18;28-20(17-8-30-10-22-17)24-13-3-1-12(2-4-13)19-26-15-6-5-14(7-16(15)27-19)25-21(29)18-9-31-11-23-18/h7-12,17,21-22,25-26H,13-16H2,1-6H3,(H,36,42)(H,37,43)(H,38,39);13-19,21-22H,2-12H2,1H3,(H,31,35)(H,32,36);5-15H,1-4H3,(H,30,36)(H,31,37)(H,32,33);12-18,21-22H,2-11H2,1H3,(H,30,35)(H,31,36);7,9,11-17H,1-6,8,10H2,(H,28,32)(H,29,33)(H,30,31);6-16,18H,1-5H2,(H,28,32)(H,29,33)(H,30,31);1-11H,(H,26,36)(H,27,37)(H,28,29)(H2,30,32,33)(H2,31,34,35);2*1-15H,(H,28,32)(H,29,33)(H,30,31);1-13H,(H,24,28)(H,25,29)(H,26,27);1-11H,(H,24,28)(H,25,29)(H,26,27);1-7,17-18,22-23H,8-11H2,(H,24,28)(H,25,29)(H,26,27) |
| InChIKey | GUPNZCRMACVMRB-UHFFFAOYSA-N |
| XLogP | 59.06 |
| TPSA | 1434.60 Ų |
| H-Bond Donors | 40 |
| H-Bond Acceptors | 70 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 420 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5667.36 |
| LogP ≤ 5 | 59.06 |
| H-Bond Donors ≤ 5 | 40 |
| H-Bond Acceptors ≤ 10 | 70 |