C162H152Cl2N24O12 — CID 157156911
4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide (PubChem CID 157156911) has the molecular formula C162H152Cl2N24O12 and a molecular weight of 2698.06 g/mol. Its IUPAC name is 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide.
| Compound Name | 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide |
|---|---|
| PubChem CID | 157156911 |
| Molecular Formula | C162H152Cl2N24O12 |
| Molecular Weight | 2698.06 g/mol |
| Exact Mass | 2695.14 |
| IUPAC Name | 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide |
| SMILES | CC(=O)Nc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)C4CCCC4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1 |
| InChI | InChI=1S/C32H38N4O2.C28H34N4O2.C27H18Cl2N4O2.C27H20N4O2.C26H24N4O2.C22H18N4O2/c1-19-4-2-3-5-26(19)36-30(37)24-8-6-23(7-9-24)29-34-27-11-10-25(15-28(27)35-29)33-31(38)32-16-20-12-21(17-32)14-22(13-20)18-32;1-18-7-5-6-10-23(18)32-28(34)21-13-11-19(12-14-21)26-30-24-16-15-22(17-25(24)31-26)29-27(33)20-8-3-2-4-9-20;28-21-12-10-18(14-22(21)29)27(35)31-20-11-13-23-24(15-20)33-25(32-23)16-6-8-17(9-7-16)26(34)30-19-4-2-1-3-5-19;32-26(19-7-3-1-4-8-19)29-22-15-16-23-24(17-22)31-25(30-23)18-11-13-20(14-12-18)27(33)28-21-9-5-2-6-10-21;31-25(18-6-4-5-7-18)28-21-14-15-22-23(16-21)30-24(29-22)17-10-12-19(13-11-17)26(32)27-20-8-2-1-3-9-20;1-14(27)23-18-11-12-19-20(13-18)26-21(25-19)15-7-9-16(10-8-15)22(28)24-17-5-3-2-4-6-17/h6-11,15,19-22,26H,2-5,12-14,16-18H2,1H3,(H,33,38)(H,34,35)(H,36,37);11-18,20,23H,2-10H2,1H3,(H,29,33)(H,30,31)(H,32,34);1-15H,(H,30,34)(H,31,35)(H,32,33);1-17H,(H,28,33)(H,29,32)(H,30,31);1-3,8-16,18H,4-7H2,(H,27,32)(H,28,31)(H,29,30);2-13H,1H3,(H,23,27)(H,24,28)(H,25,26) |
| InChIKey | ALXLNWZIJOIGRE-UHFFFAOYSA-N |
| XLogP | 35.58 |
| TPSA | 521.28 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 200 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2698.06 |
| LogP ≤ 5 | 35.58 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 18 |