C141H118ClF5N20O10 — CID 157077285
2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 157077285) has the molecular formula C141H118ClF5N20O10 and a molecular weight of 2383.07 g/mol. Its IUPAC name is 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.
| Compound Name | 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 157077285 |
| Molecular Formula | C141H118ClF5N20O10 |
| Molecular Weight | 2383.07 g/mol |
| Exact Mass | 2380.89 |
| IUPAC Name | 2-[4-(2-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide |
| SMILES | CC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)CC1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3)[nH]c2c1.O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccc(C(=O)NC4CC5CCC4C5)cc3)[nH]c2c1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1 |
| InChI | InChI=1S/C31H29FN4O2.C28H25FN4O2.C28H27FN4O2.C27H18ClFN4O2.C27H19FN4O2/c32-24-6-8-25(9-7-24)33-31(38)21-5-10-26-27(16-21)35-29(34-26)19-1-3-20(4-2-19)30(37)36-28-22-12-17-11-18(14-22)15-23(28)13-17;29-21-8-10-22(11-9-21)30-28(35)20-7-12-23-25(15-20)32-26(31-23)17-3-5-18(6-4-17)27(34)33-24-14-16-1-2-19(24)13-16;1-17-2-11-22(12-3-17)30-27(34)19-6-4-18(5-7-19)26-32-24-15-8-20(16-25(24)33-26)28(35)31-23-13-9-21(29)10-14-23;28-19-6-10-21(11-7-19)30-26(34)17-3-1-16(2-4-17)25-32-23-14-5-18(15-24(23)33-25)27(35)31-22-12-8-20(29)9-13-22;28-20-11-13-22(14-12-20)30-27(34)19-10-15-23-24(16-19)32-25(31-23)17-6-8-18(9-7-17)26(33)29-21-4-2-1-3-5-21/h1-10,16-18,22-23,28H,11-15H2,(H,33,38)(H,34,35)(H,36,37);3-12,15-16,19,24H,1-2,13-14H2,(H,30,35)(H,31,32)(H,33,34);4-10,13-17,22H,2-3,11-12H2,1H3,(H,30,34)(H,31,35)(H,32,33);1-15H,(H,30,34)(H,31,35)(H,32,33);1-16H,(H,29,33)(H,30,34)(H,31,32) |
| InChIKey | ADCRFTHKHNJVHF-UHFFFAOYSA-N |
| XLogP | 30.05 |
| TPSA | 434.40 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 177 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2383.07 |
| LogP ≤ 5 | 30.05 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 15 |