C170H198N24O12 — CID 157477054
2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 157477054) has the molecular formula C170H198N24O12 and a molecular weight of 2769.61 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.
| Compound Name | 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 157477054 |
| Molecular Formula | C170H198N24O12 |
| Molecular Weight | 2769.61 g/mol |
| Exact Mass | 2767.56 |
| IUPAC Name | 2-[4-(adamantane-1-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide |
| SMILES | CC1CCC(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCCC5)cc4[nH]3)cc2)CC1.O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1.O=C(NC1CCCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)c1ccccc1 |
| InChI | InChI=1S/C32H38N4O2.2C28H34N4O2.C28H28N4O2.2C27H32N4O2/c37-30(33-25-5-3-1-2-4-6-25)24-9-12-27-28(16-24)36-29(35-27)23-7-10-26(11-8-23)34-31(38)32-17-20-13-21(18-32)15-22(14-20)19-32;1-18-7-9-20(10-8-18)27(33)30-23-14-11-19(12-15-23)26-31-24-16-13-21(17-25(24)32-26)28(34)29-22-5-3-2-4-6-22;2*33-27(20-8-4-3-5-9-20)30-23-15-12-19(13-16-23)26-31-24-17-14-21(18-25(24)32-26)28(34)29-22-10-6-1-2-7-11-22;32-26(19-7-3-1-4-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-5-2-6-10-21;32-26(19-7-5-6-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-3-1-2-4-10-21/h7-12,16,20-22,25H,1-6,13-15,17-19H2,(H,33,37)(H,34,38)(H,35,36);11-18,20,22H,2-10H2,1H3,(H,29,34)(H,30,33)(H,31,32);12-18,20,22H,1-11H2,(H,29,34)(H,30,33)(H,31,32);3-5,8-9,12-18,22H,1-2,6-7,10-11H2,(H,29,34)(H,30,33)(H,31,32);2*11-17,19,21H,1-10H2,(H,28,33)(H,29,32)(H,30,31) |
| InChIKey | BVSHYAXGSASIGV-UHFFFAOYSA-N |
| XLogP | 36.65 |
| TPSA | 521.28 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 206 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2769.61 |
| LogP ≤ 5 | 36.65 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 18 |