C130H99ClFN25O11 — CID 159198516
2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 159198516) has the molecular formula C130H99ClFN25O11 and a molecular weight of 2241.84 g/mol. Its IUPAC name is 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide.
| Compound Name | 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 159198516 |
| Molecular Formula | C130H99ClFN25O11 |
| Molecular Weight | 2241.84 g/mol |
| Exact Mass | 2239.76 |
| IUPAC Name | 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide |
| SMILES | COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)Nc5ccccn5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccn4)cc3[nH]2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccn4)cc3[nH]2)cc1)c1ccc(F)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccn4)cc3[nH]2)cc1)c1ccccc1.O=C(Nc1ccccn1)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1 |
| InChI | InChI=1S/C27H21N5O3.C26H18ClN5O2.C26H18FN5O2.C26H19N5O2.C25H23N5O2/c1-35-21-12-7-18(8-13-21)26(33)29-20-10-5-17(6-11-20)25-30-22-14-9-19(16-23(22)31-25)27(34)32-24-4-2-3-15-28-24;2*27-19-9-4-17(5-10-19)25(33)29-20-11-6-16(7-12-20)24-30-21-13-8-18(15-22(21)31-24)26(34)32-23-3-1-2-14-28-23;32-25(18-6-2-1-3-7-18)28-20-12-9-17(10-13-20)24-29-21-14-11-19(16-22(21)30-24)26(33)31-23-8-4-5-15-27-23;31-24(17-5-1-2-6-17)27-19-11-8-16(9-12-19)23-28-20-13-10-18(15-21(20)29-23)25(32)30-22-7-3-4-14-26-22/h2-16H,1H3,(H,29,33)(H,30,31)(H,28,32,34);2*1-15H,(H,29,33)(H,30,31)(H,28,32,34);1-16H,(H,28,32)(H,29,30)(H,27,31,33);3-4,7-15,17H,1-2,5-6H2,(H,27,31)(H,28,29)(H,26,30,32) |
| InChIKey | KOZBLEYBGGHWPE-UHFFFAOYSA-N |
| XLogP | 26.33 |
| TPSA | 508.08 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2241.84 |
| LogP ≤ 5 | 26.33 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 21 |