C142H137N25O10 — CID 159233503
2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 159233503) has the molecular formula C142H137N25O10 and a molecular weight of 2353.82 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide.
| Compound Name | 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 159233503 |
| Molecular Formula | C142H137N25O10 |
| Molecular Weight | 2353.82 g/mol |
| Exact Mass | 2352.10 |
| IUPAC Name | 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(1-adamantyl)-2-[4-(pyridine-4-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide |
| SMILES | O=C(Nc1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)c1cccnc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)c1ccncc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1cccnc1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1 |
| InChI | InChI=1S/3C30H29N5O2.2C26H25N5O2/c36-28(22-7-9-31-10-8-22)32-24-4-1-21(2-5-24)27-33-25-6-3-23(14-26(25)34-27)29(37)35-30-15-18-11-19(16-30)13-20(12-18)17-30;36-28(32-24-2-1-9-31-17-24)22-5-8-25-26(13-22)35-27(34-25)21-3-6-23(7-4-21)33-29(37)30-14-18-10-19(15-30)12-20(11-18)16-30;36-28(23-2-1-9-31-17-23)32-24-6-3-21(4-7-24)27-33-25-8-5-22(13-26(25)34-27)29(37)35-30-14-18-10-19(15-30)12-20(11-18)16-30;32-25(28-20-6-2-1-3-7-20)18-10-13-22-23(15-18)31-24(30-22)17-8-11-21(12-9-17)29-26(33)19-5-4-14-27-16-19;32-25(18-5-2-1-3-6-18)28-20-11-8-17(9-12-20)24-30-22-13-10-19(15-23(22)31-24)26(33)29-21-7-4-14-27-16-21/h1-10,14,18-20H,11-13,15-17H2,(H,32,36)(H,33,34)(H,35,37);1-9,13,17-20H,10-12,14-16H2,(H,32,36)(H,33,37)(H,34,35);1-9,13,17-20H,10-12,14-16H2,(H,32,36)(H,33,34)(H,35,37);4-5,8-16,20H,1-3,6-7H2,(H,28,32)(H,29,33)(H,30,31);4,7-16,18H,1-3,5-6H2,(H,28,32)(H,29,33)(H,30,31) |
| InChIKey | KTEPCUQNXWQIND-UHFFFAOYSA-N |
| XLogP | 27.52 |
| TPSA | 498.85 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 177 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2353.82 |
| LogP ≤ 5 | 27.52 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 20 |