C177H204Cl2F3N25O15 — CID 161383821
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;4-methoxy-N-[4-[6-[(4-methoxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-methyl-N-[4-[6-[(1-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;2,2,3,3-tetramethyl-N-[4-[6-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 161383821) has the molecular formula C177H204Cl2F3N25O15 and a molecular weight of 3049.64 g/mol. Its IUPAC name is N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;4-methoxy-N-[4-[6-[(4-methoxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-methyl-N-[4-[6-[(1-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;2,2,3,3-tetramethyl-N-[4-[6-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide.
| Compound Name | N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;4-methoxy-N-[4-[6-[(4-methoxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-methyl-N-[4-[6-[(1-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;2,2,3,3-tetramethyl-N-[4-[6-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide |
|---|---|
| PubChem CID | 161383821 |
| Molecular Formula | C177H204Cl2F3N25O15 |
| Molecular Weight | 3049.64 g/mol |
| Exact Mass | 3046.53 |
| IUPAC Name | N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;4-methoxy-N-[4-[6-[(4-methoxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;1-methyl-N-[4-[6-[(1-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide;2,2,3,3-tetramethyl-N-[4-[6-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclopropane-1-carboxamide;N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide |
| SMILES | CC1(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5(C)CCCCC5)cc4[nH]3)cc2)CCCCC1.CC1(C)C(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5C(C)(C)C5(C)C)cc4[nH]3)cc2)C1(C)C.COC1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(OC)CC5)cc4[nH]3)cc2)CC1.Cc1cc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2cc1C.O=C(Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCC(O)CC4)cc3[nH]2)cc1)C1CCC(O)CC1 |
| InChI | InChI=1S/C29H36N4O4.2C29H36N4O2.C27H32N4O4.C22H25N3O.C21H20F3N3O.C20H19Cl2N3O/c1-36-23-12-5-19(6-13-23)28(34)30-21-9-3-18(4-10-21)27-32-25-16-11-22(17-26(25)33-27)31-29(35)20-7-14-24(37-2)15-8-20;1-26(2)21(27(26,3)4)24(34)30-17-11-9-16(10-12-17)23-32-19-14-13-18(15-20(19)33-23)31-25(35)22-28(5,6)29(22,7)8;1-28(15-5-3-6-16-28)26(34)30-21-11-9-20(10-12-21)25-32-23-14-13-22(19-24(23)33-25)31-27(35)29(2)17-7-4-8-18-29;32-21-10-3-17(4-11-21)26(34)28-19-7-1-16(2-8-19)25-30-23-14-9-20(15-24(23)31-25)29-27(35)18-5-12-22(33)13-6-18;1-14-12-19-20(13-15(14)2)25-21(24-19)16-8-10-18(11-9-16)23-22(26)17-6-4-3-5-7-17;22-21(23,24)15-8-11-17-18(12-15)27-19(26-17)13-6-9-16(10-7-13)25-20(28)14-4-2-1-3-5-14;21-15-10-17-18(11-16(15)22)25-19(24-17)12-6-8-14(9-7-12)23-20(26)13-4-2-1-3-5-13/h3-4,9-11,16-17,19-20,23-24H,5-8,12-15H2,1-2H3,(H,30,34)(H,31,35)(H,32,33);9-15,21-22H,1-8H3,(H,30,34)(H,31,35)(H,32,33);9-14,19H,3-8,15-18H2,1-2H3,(H,30,34)(H,31,35)(H,32,33);1-2,7-9,14-15,17-18,21-22,32-33H,3-6,10-13H2,(H,28,34)(H,29,35)(H,30,31);8-13,17H,3-7H2,1-2H3,(H,23,26)(H,24,25);6-12,14H,1-5H2,(H,25,28)(H,26,27);6-11,13H,1-5H2,(H,23,26)(H,24,25) |
| InChIKey | VSBMCSAZSBWTKZ-UHFFFAOYSA-N |
| XLogP | 40.43 |
| TPSA | 579.78 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 222 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3049.64 |
| LogP ≤ 5 | 40.43 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 22 |