C143H139N25O10 — CID 159354014
N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-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;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 159354014) has the molecular formula C143H139N25O10 and a molecular weight of 2367.85 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-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;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide.
| Compound Name | N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-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;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 159354014 |
| Molecular Formula | C143H139N25O10 |
| Molecular Weight | 2367.85 g/mol |
| Exact Mass | 2366.11 |
| IUPAC Name | N-(1-adamantyl)-2-[4-(pyridine-2-carbonylamino)phenyl]-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;N-cycloheptyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridine-3-carbonylamino)phenyl]-3H-benzimidazole-5-carboxamide |
| SMILES | O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2nc(-c3ccc(NC(=O)c4ccccn4)cc3)[nH]c2c1.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(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1)c1cccnc1 |
| InChI | InChI=1S/3C30H29N5O2.C27H27N5O2.C26H25N5O2/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(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;36-28(35-30-15-18-11-19(16-30)13-20(12-18)17-30)22-6-9-24-26(14-22)34-27(33-24)21-4-7-23(8-5-21)32-29(37)25-3-1-2-10-31-25;33-26(29-21-7-3-1-2-4-8-21)19-11-14-23-24(16-19)32-25(31-23)18-9-12-22(13-10-18)30-27(34)20-6-5-15-28-17-20;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/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,33,34)(H,35,37);1-10,14,18-20H,11-13,15-17H2,(H,32,37)(H,33,34)(H,35,36);5-6,9-17,21H,1-4,7-8H2,(H,29,33)(H,30,34)(H,31,32);4-5,8-16,20H,1-3,6-7H2,(H,28,32)(H,29,33)(H,30,31) |
| InChIKey | LHRMXRIUIRORFC-UHFFFAOYSA-N |
| XLogP | 27.00 |
| TPSA | 498.85 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 178 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2367.85 |
| LogP ≤ 5 | 27.00 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 20 |