C164H188N24O12 — CID 158726481
4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclopentylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-methylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide;N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide (PubChem CID 158726481) has the molecular formula C164H188N24O12 and a molecular weight of 2687.46 g/mol. Its IUPAC name is 4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclopentylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-methylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide;N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide.
| Compound Name | 4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclopentylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-methylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide;N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide |
|---|---|
| PubChem CID | 158726481 |
| Molecular Formula | C164H188N24O12 |
| Molecular Weight | 2687.46 g/mol |
| Exact Mass | 2685.48 |
| IUPAC Name | 4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclopentylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-methylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide;N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide |
| SMILES | CC1CCC(NC(=O)c2ccc(-c3nc4ccc(NC(=O)C56CC7CC(CC(C7)C5)C6)cc4[nH]3)cc2)CC1.CC1CCC(NC(=O)c2ccc(-c3nc4ccc(NC(=O)C5CCCCC5)cc4[nH]3)cc2)CC1.CNC(=O)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.CNC(=O)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.O=C(NC1CCCC1)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.O=C(NC1CCCC1)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1 |
| InChI | InChI=1S/C32H38N4O2.C30H34N4O2.C28H34N4O2.C26H28N4O2.C26H30N4O2.C22H24N4O2/c1-19-2-8-25(9-3-19)33-30(37)24-6-4-23(5-7-24)29-35-27-11-10-26(15-28(27)36-29)34-31(38)32-16-20-12-21(17-32)14-22(13-20)18-32;35-28(31-23-3-1-2-4-23)22-7-5-21(6-8-22)27-33-25-10-9-24(14-26(25)34-27)32-29(36)30-15-18-11-19(16-30)13-20(12-18)17-30;1-18-7-13-22(14-8-18)29-28(34)21-11-9-19(10-12-21)26-31-24-16-15-23(17-25(24)32-26)30-27(33)20-5-3-2-4-6-20;1-27-24(31)19-4-2-18(3-5-19)23-29-21-7-6-20(11-22(21)30-23)28-25(32)26-12-15-8-16(13-26)10-17(9-15)14-26;31-25(18-6-2-1-3-7-18)28-21-14-15-22-23(16-21)30-24(29-22)17-10-12-19(13-11-17)26(32)27-20-8-4-5-9-20;1-23-21(27)16-9-7-14(8-10-16)20-25-18-12-11-17(13-19(18)26-20)24-22(28)15-5-3-2-4-6-15/h4-7,10-11,15,19-22,25H,2-3,8-9,12-14,16-18H2,1H3,(H,33,37)(H,34,38)(H,35,36);5-10,14,18-20,23H,1-4,11-13,15-17H2,(H,31,35)(H,32,36)(H,33,34);9-12,15-18,20,22H,2-8,13-14H2,1H3,(H,29,34)(H,30,33)(H,31,32);2-7,11,15-17H,8-10,12-14H2,1H3,(H,27,31)(H,28,32)(H,29,30);10-16,18,20H,1-9H2,(H,27,32)(H,28,31)(H,29,30);7-13,15H,2-6H2,1H3,(H,23,27)(H,24,28)(H,25,26) |
| InChIKey | IKOHDILHFNKVPT-UHFFFAOYSA-N |
| XLogP | 33.08 |
| TPSA | 521.28 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 200 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2687.46 |
| LogP ≤ 5 | 33.08 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 18 |