C228H207Cl2F5N32O19 — CID 158376785
2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 158376785) has the molecular formula C228H207Cl2F5N32O19 and a molecular weight of 3865.26 g/mol. Its IUPAC name is 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide.
| Compound Name | 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 158376785 |
| Molecular Formula | C228H207Cl2F5N32O19 |
| Molecular Weight | 3865.26 g/mol |
| Exact Mass | 3861.55 |
| IUPAC Name | 2-[4-(1-adamantylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide |
| SMILES | COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CC6CCC5C6)cc4[nH]3)cc2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5CC6CCC5C6)cc4)[nH]c3c2)cc1.COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)[nH]c3c2)cc1.O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccc(C(=O)NC4CCCCC4)cc3)[nH]c2c1.O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccc(C(=O)NC4CCCCCC4)cc3)[nH]c2c1 |
| InChI | InChI=1S/C31H29FN4O2.2C29H28N4O3.C28H24Cl2N4O2.C28H21FN4O3.C28H25FN4O2.C28H27FN4O2.C27H25FN4O2/c32-24-6-8-25(9-7-24)33-29(37)23-5-10-26-27(14-23)35-28(34-26)21-1-3-22(4-2-21)30(38)36-31-15-18-11-19(16-31)13-20(12-18)17-31;1-36-23-11-9-22(10-12-23)30-29(35)21-8-13-24-26(16-21)32-27(31-24)18-4-6-19(7-5-18)28(34)33-25-15-17-2-3-20(25)14-17;1-36-23-11-9-22(10-12-23)30-28(34)19-6-4-18(5-7-19)27-31-24-13-8-21(16-26(24)32-27)29(35)33-25-15-17-2-3-20(25)14-17;29-21-9-8-20(14-22(21)30)31-27(35)17-5-3-16(4-6-17)26-32-23-10-7-19(13-25(23)33-26)28(36)34-24-12-15-1-2-18(24)11-15;1-36-23-13-11-22(12-14-23)31-28(35)19-6-15-24-25(16-19)33-26(32-24)17-2-4-18(5-3-17)27(34)30-21-9-7-20(29)8-10-21;29-21-8-10-22(11-9-21)30-27(34)18-5-3-17(4-6-18)26-31-23-12-7-20(15-25(23)32-26)28(35)33-24-14-16-1-2-19(24)13-16;29-21-12-14-23(15-13-21)31-28(35)20-11-16-24-25(17-20)33-26(32-24)18-7-9-19(10-8-18)27(34)30-22-5-3-1-2-4-6-22;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/h1-10,14,18-20H,11-13,15-17H2,(H,33,37)(H,34,35)(H,36,38);4-13,16-17,20,25H,2-3,14-15H2,1H3,(H,30,35)(H,31,32)(H,33,34);4-13,16-17,20,25H,2-3,14-15H2,1H3,(H,30,34)(H,31,32)(H,33,35);3-10,13-15,18,24H,1-2,11-12H2,(H,31,35)(H,32,33)(H,34,36);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);3-12,15-16,19,24H,1-2,13-14H2,(H,30,34)(H,31,32)(H,33,35);7-17,22H,1-6H2,(H,30,34)(H,31,35)(H,32,33);6-16,21H,1-5H2,(H,29,33)(H,30,34)(H,31,32) |
| InChIKey | GVHLKEYSMOVIQB-UHFFFAOYSA-N |
| XLogP | 47.03 |
| TPSA | 722.73 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 286 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3865.26 |
| LogP ≤ 5 | 47.03 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 27 |