C222H206Cl2F2N36O17 — CID 157446643
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;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 157446643) has the molecular formula C222H206Cl2F2N36O17 and a molecular weight of 3759.23 g/mol. Its IUPAC name is 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;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide.
| Compound Name | 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;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 157446643 |
| Molecular Formula | C222H206Cl2F2N36O17 |
| Molecular Weight | 3759.23 g/mol |
| Exact Mass | 3755.57 |
| IUPAC Name | 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;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cycloheptylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide |
| SMILES | COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CC6CCC5C6)cc4[nH]3)cc2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CC6CCC5C6)cc4[nH]3)cc2)nc1.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)NC4CCCCCC4)cc3)[nH]c2c1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1 |
| InChI | InChI=1S/C29H28N4O3.C28H24Cl2N4O2.C28H25FN4O2.C28H27FN4O2.C28H27N5O2.3C27H25N5O2/c1-36-23-11-9-22(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;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;1-16-2-11-25(29-15-16)33-27(34)19-7-5-18(6-8-19)26-30-22-10-9-21(14-24(22)31-26)28(35)32-23-13-17-3-4-20(23)12-17;33-26(29-21-9-11-28-12-10-21)18-5-3-17(4-6-18)25-30-22-8-7-20(15-24(22)31-25)27(34)32-23-14-16-1-2-19(23)13-16;33-26(29-21-2-1-11-28-15-21)18-7-5-17(6-8-18)25-30-22-10-9-20(14-24(22)31-25)27(34)32-23-13-16-3-4-19(23)12-16;33-26(32-24-3-1-2-12-28-24)18-8-6-17(7-9-18)25-29-21-11-10-20(15-23(21)30-25)27(34)31-22-14-16-4-5-19(22)13-16/h4-13,16-17,20,25H,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);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);2,5-11,14-15,17,20,23H,3-4,12-13H2,1H3,(H,30,31)(H,32,35)(H,29,33,34);3-12,15-16,19,23H,1-2,13-14H2,(H,30,31)(H,32,34)(H,28,29,33);1-2,5-11,14-16,19,23H,3-4,12-13H2,(H,29,33)(H,30,31)(H,32,34);1-3,6-12,15-16,19,22H,4-5,13-14H2,(H,29,30)(H,31,34)(H,28,32,33) |
| InChIKey | BSHNDAGOEMKRDP-UHFFFAOYSA-N |
| XLogP | 43.22 |
| TPSA | 755.83 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 279 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3759.23 |
| LogP ≤ 5 | 43.22 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 29 |