C219H170Cl2F6N36O18 — CID 157291344
N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-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;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 157291344) has the molecular formula C219H170Cl2F6N36O18 and a molecular weight of 3778.90 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-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;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.
| Compound Name | N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-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;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 157291344 |
| Molecular Formula | C219H170Cl2F6N36O18 |
| Molecular Weight | 3778.90 g/mol |
| Exact Mass | 3775.28 |
| IUPAC Name | N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-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;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide |
| SMILES | CC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)CC1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccc(F)cc5)cc4[nH]3)cc2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5cccnc5)cc4)[nH]c3c2)cc1.O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[nH]2)cc1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1 |
| InChI | InChI=1S/C30H29N5O2.C28H21FN4O3.C28H27FN4O2.C27H17Cl2FN4O2.C27H19FN4O2.C27H21N5O3.2C26H18FN5O2/c36-29(34-26-3-1-2-10-31-26)20-6-4-19(5-7-20)28-32-24-9-8-21(16-25(24)33-28)30(37)35-27-22-12-17-11-18(14-22)15-23(27)13-17;1-36-23-13-11-22(12-14-23)30-27(34)18-4-2-17(3-5-18)26-32-24-15-6-19(16-25(24)33-26)28(35)31-21-9-7-20(29)8-10-21;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;28-21-11-10-20(14-22(21)29)32-26(35)16-3-1-15(2-4-16)25-33-23-12-5-17(13-24(23)34-25)27(36)31-19-8-6-18(30)7-9-19;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;1-35-22-11-9-20(10-12-22)29-27(34)19-8-13-23-24(15-19)32-25(31-23)17-4-6-18(7-5-17)26(33)30-21-3-2-14-28-16-21;27-19-6-8-20(9-7-19)29-26(34)18-5-10-22-23(15-18)32-24(31-22)16-1-3-17(4-2-16)25(33)30-21-11-13-28-14-12-21;27-19-8-10-20(11-9-19)29-26(34)18-7-12-22-23(14-18)32-24(31-22)16-3-5-17(6-4-16)25(33)30-21-2-1-13-28-15-21/h1-10,16-18,22-23,27H,11-15H2,(H,32,33)(H,35,37)(H,31,34,36);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);4-10,13-17,22H,2-3,11-12H2,1H3,(H,30,34)(H,31,35)(H,32,33);1-14H,(H,31,36)(H,32,35)(H,33,34);1-16H,(H,29,33)(H,30,34)(H,31,32);2-16H,1H3,(H,29,34)(H,30,33)(H,31,32);1-15H,(H,29,34)(H,31,32)(H,28,30,33);1-15H,(H,29,34)(H,30,33)(H,31,32) |
| InChIKey | BAVLHUQYDFFVRG-UHFFFAOYSA-N |
| XLogP | 45.97 |
| TPSA | 765.06 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 281 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3778.90 |
| LogP ≤ 5 | 45.97 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 30 |