C214H201N41O17 — CID 159663267
N-cyclohexyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-oxo-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 159663267) has the molecular formula C214H201N41O17 and a molecular weight of 3619.23 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-oxo-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.
| Compound Name | N-cyclohexyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-oxo-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 159663267 |
| Molecular Formula | C214H201N41O17 |
| Molecular Weight | 3619.23 g/mol |
| Exact Mass | 3616.61 |
| IUPAC Name | N-cyclohexyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-oxo-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide |
| SMILES | CC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccn5)cc4[nH]3)cc2)CC1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)Nc4ccccn4)cc3[nH]2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CCCCC5)cc4[nH]3)cc2)nc1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1.O=C(Nc1ccccn1)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(C4)C(=O)C(C6)C5)cc3)[nH]c2c1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(C(=O)Nc4ccccn4)cc3)[nH]c2c1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1 |
| InChI | InChI=1S/C30H27N5O3.3C27H27N5O2.3C26H25N5O2.C25H18N6O2/c36-26-21-11-17-12-22(26)16-30(14-17,15-21)35-29(38)19-6-4-18(5-7-19)27-32-23-9-8-20(13-24(23)33-27)28(37)34-25-3-1-2-10-31-25;1-17-6-2-3-7-21(17)31-26(33)19-11-9-18(10-12-19)25-29-22-14-13-20(16-23(22)30-25)27(34)32-24-8-4-5-15-28-24;1-17-5-12-21(13-6-17)29-26(33)19-9-7-18(8-10-19)25-30-22-14-11-20(16-23(22)31-25)27(34)32-24-4-2-3-15-28-24;1-17-7-14-24(28-16-17)32-26(33)19-10-8-18(9-11-19)25-30-22-13-12-20(15-23(22)31-25)27(34)29-21-5-3-2-4-6-21;32-25(31-23-8-4-5-15-27-23)18-11-9-17(10-12-18)24-29-21-14-13-19(16-22(21)30-24)26(33)28-20-6-2-1-3-7-20;32-25(29-21-7-4-14-27-16-21)18-10-8-17(9-11-18)24-30-22-13-12-19(15-23(22)31-24)26(33)28-20-5-2-1-3-6-20;32-25(29-21-12-14-27-15-13-21)18-8-6-17(7-9-18)24-30-22-11-10-19(16-23(22)31-24)26(33)28-20-4-2-1-3-5-20;32-24(31-22-5-1-2-13-27-22)17-8-6-16(7-9-17)23-29-20-11-10-18(14-21(20)30-23)25(33)28-19-4-3-12-26-15-19/h1-10,13,17,21-22H,11-12,14-16H2,(H,32,33)(H,35,38)(H,31,34,37);4-5,8-17,21H,2-3,6-7H2,1H3,(H,29,30)(H,31,33)(H,28,32,34);2-4,7-11,14-17,21H,5-6,12-13H2,1H3,(H,29,33)(H,30,31)(H,28,32,34);7-16,21H,2-6H2,1H3,(H,29,34)(H,30,31)(H,28,32,33);4-5,8-16,20H,1-3,6-7H2,(H,28,33)(H,29,30)(H,27,31,32);4,7-16,20H,1-3,5-6H2,(H,28,33)(H,29,32)(H,30,31);6-16,20H,1-5H2,(H,28,33)(H,30,31)(H,27,29,32);1-15H,(H,28,33)(H,29,30)(H,27,31,32) |
| InChIKey | MTBUCRVMUPSCTI-UHFFFAOYSA-N |
| XLogP | 39.72 |
| TPSA | 828.12 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 272 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3619.23 |
| LogP ≤ 5 | 39.72 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 34 |