C175H184Cl2N24O12 — CID 157427954
4-(6-acetamido-1H-benzimidazol-2-yl)-N-(1-adamantyl)benzamide;N-(1-adamantyl)-4-(6-benzamido-1H-benzimidazol-2-yl)benzamide;N-[2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide;N-(1-adamantyl)-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide;4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-phenylbenzamide (PubChem CID 157427954) has the molecular formula C175H184Cl2N24O12 and a molecular weight of 2886.46 g/mol. Its IUPAC name is 4-(6-acetamido-1H-benzimidazol-2-yl)-N-(1-adamantyl)benzamide;N-(1-adamantyl)-4-(6-benzamido-1H-benzimidazol-2-yl)benzamide;N-[2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide;N-(1-adamantyl)-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide;4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-phenylbenzamide.
| Compound Name | 4-(6-acetamido-1H-benzimidazol-2-yl)-N-(1-adamantyl)benzamide;N-(1-adamantyl)-4-(6-benzamido-1H-benzimidazol-2-yl)benzamide;N-[2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide;N-(1-adamantyl)-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide;4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-phenylbenzamide |
|---|---|
| PubChem CID | 157427954 |
| Molecular Formula | C175H184Cl2N24O12 |
| Molecular Weight | 2886.46 g/mol |
| Exact Mass | 2883.39 |
| IUPAC Name | 4-(6-acetamido-1H-benzimidazol-2-yl)-N-(1-adamantyl)benzamide;N-(1-adamantyl)-4-(6-benzamido-1H-benzimidazol-2-yl)benzamide;N-[2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]-3,4-dichlorobenzamide;N-(1-adamantyl)-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide;4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-phenylbenzamide |
| SMILES | CC(=O)Nc1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.CC1CCCCC1C(=O)Nc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4C)cc3[nH]2)cc1.O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nc3ccc(NC(=O)C4CCCC4)cc3[nH]2)cc1.O=C(Nc1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1)c1ccccc1 |
| InChI | InChI=1S/C31H28Cl2N4O2.C31H30N4O2.C30H34N4O2.C29H36N4O2.C28H28N4O2.C26H28N4O2/c32-24-7-5-22(12-25(24)33)29(38)34-23-6-8-26-27(13-23)36-28(35-26)20-1-3-21(4-2-20)30(39)37-31-14-17-9-18(15-31)11-19(10-17)16-31;36-29(23-4-2-1-3-5-23)32-25-10-11-26-27(15-25)34-28(33-26)22-6-8-24(9-7-22)30(37)35-31-16-19-12-20(17-31)14-21(13-19)18-31;35-28(22-3-1-2-4-22)31-24-9-10-25-26(14-24)33-27(32-25)21-5-7-23(8-6-21)29(36)34-30-15-18-11-19(16-30)13-20(12-18)17-30;1-18-7-3-5-9-23(18)29(35)30-22-15-16-25-26(17-22)32-27(31-25)20-11-13-21(14-12-20)28(34)33-24-10-6-4-8-19(24)2;1-18-7-5-6-10-23(18)28(34)30-22-15-16-24-25(17-22)32-26(31-24)19-11-13-20(14-12-19)27(33)29-21-8-3-2-4-9-21;1-15(31)27-21-6-7-22-23(11-21)29-24(28-22)19-2-4-20(5-3-19)25(32)30-26-12-16-8-17(13-26)10-18(9-16)14-26/h1-8,12-13,17-19H,9-11,14-16H2,(H,34,38)(H,35,36)(H,37,39);1-11,15,19-21H,12-14,16-18H2,(H,32,36)(H,33,34)(H,35,37);5-10,14,18-20,22H,1-4,11-13,15-17H2,(H,31,35)(H,32,33)(H,34,36);11-19,23-24H,3-10H2,1-2H3,(H,30,35)(H,31,32)(H,33,34);2-4,8-9,11-18,23H,5-7,10H2,1H3,(H,29,33)(H,30,34)(H,31,32);2-7,11,16-18H,8-10,12-14H2,1H3,(H,27,31)(H,28,29)(H,30,32) |
| InChIKey | BQEKRDDNZHRSNO-UHFFFAOYSA-N |
| XLogP | 37.16 |
| TPSA | 521.28 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 213 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2886.46 |
| LogP ≤ 5 | 37.16 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 18 |