C107H85FN20O9 — CID 158247809
N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 158247809) has the molecular formula C107H85FN20O9 and a molecular weight of 1813.99 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide.
| Compound Name | N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 158247809 |
| Molecular Formula | C107H85FN20O9 |
| Molecular Weight | 1813.99 g/mol |
| Exact Mass | 1812.68 |
| IUPAC Name | N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide |
| SMILES | COc1ccc(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5cccnc5)cc4)[nH]c3c2)cc1.Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)nc1.O=C(Nc1cccnc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccc(F)cc4)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1 |
| InChI | InChI=1S/C27H21N5O3.C27H25N5O2.C27H21N5O2.C26H18FN5O2/c1-35-22-11-9-20(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;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;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;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/h2-16H,1H3,(H,29,34)(H,30,33)(H,31,32);3-12,15-16,19,23H,1-2,13-14H2,(H,30,31)(H,32,34)(H,28,29,33);2-16H,1H3,(H,29,34)(H,30,31)(H,28,32,33);1-15H,(H,29,34)(H,30,33)(H,31,32) |
| InChIKey | GGINJOGCJGZZSM-UHFFFAOYSA-N |
| XLogP | 20.64 |
| TPSA | 408.31 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 137 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1813.99 |
| LogP ≤ 5 | 20.64 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 17 |