C148H146Cl2N20O10 — CID 162136774
N-(2-adamantyl)-2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-(2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylcyclopropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(2-phenylcyclopropyl)-3H-benzimidazole-5-carboxamide (PubChem CID 162136774) has the molecular formula C148H146Cl2N20O10 and a molecular weight of 2435.83 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-(2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylcyclopropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(2-phenylcyclopropyl)-3H-benzimidazole-5-carboxamide.
| Compound Name | N-(2-adamantyl)-2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-(2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylcyclopropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(2-phenylcyclopropyl)-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 162136774 |
| Molecular Formula | C148H146Cl2N20O10 |
| Molecular Weight | 2435.83 g/mol |
| Exact Mass | 2433.09 |
| IUPAC Name | N-(2-adamantyl)-2-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-(2-bicyclo[2.2.1]heptanyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-(2-phenylcyclopropyl)-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-(2-phenylcyclopropyl)-3H-benzimidazole-5-carboxamide |
| SMILES | O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2nc(-c3ccc(NC(=O)C4CC5CCC4C5)cc3)[nH]c2c1.O=C(NC1CC1c1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(NC1CC2CCC1C2)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CC4c4ccccc4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1)c1ccccc1 |
| InChI | InChI=1S/C32H36N4O2.C30H22Cl2N4O2.C30H30N4O2.C28H32N4O2.C28H26N4O2/c37-31(36-29-23-11-18-9-19(13-23)14-24(29)12-18)22-5-8-27-28(16-22)35-30(34-27)20-3-6-25(7-4-20)33-32(38)26-15-17-1-2-21(26)10-17;31-23-12-8-19(14-24(23)32)29(37)33-21-10-6-18(7-11-21)28-34-25-13-9-20(15-27(25)35-28)30(38)36-26-16-22(26)17-4-2-1-3-5-17;35-29(21-9-5-2-6-10-21)31-23-14-11-20(12-15-23)28-32-25-16-13-22(17-27(25)33-28)30(36)34-26-18-24(26)19-7-3-1-4-8-19;2*33-27(19-4-2-1-3-5-19)29-22-11-8-18(9-12-22)26-30-23-13-10-21(16-25(23)31-26)28(34)32-24-15-17-6-7-20(24)14-17/h3-8,16-19,21,23-24,26,29H,1-2,9-15H2,(H,33,38)(H,34,35)(H,36,37);1-15,22,26H,16H2,(H,33,37)(H,34,35)(H,36,38);1,3-4,7-8,11-17,21,24,26H,2,5-6,9-10,18H2,(H,31,35)(H,32,33)(H,34,36);8-13,16-17,19-20,24H,1-7,14-15H2,(H,29,33)(H,30,31)(H,32,34);1-5,8-13,16-17,20,24H,6-7,14-15H2,(H,29,33)(H,30,31)(H,32,34) |
| InChIKey | ZJJXSZYOGGYIBB-UHFFFAOYSA-N |
| XLogP | 30.34 |
| TPSA | 434.40 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2435.83 |
| LogP ≤ 5 | 30.34 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 15 |