C131H135Cl3N18O8 — CID 157060345
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclohexanecarboxamide;N-[3-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide (PubChem CID 157060345) has the molecular formula C131H135Cl3N18O8 and a molecular weight of 2196.00 g/mol. Its IUPAC name is N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclohexanecarboxamide;N-[3-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide.
| Compound Name | N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclohexanecarboxamide;N-[3-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide |
|---|---|
| PubChem CID | 157060345 |
| Molecular Formula | C131H135Cl3N18O8 |
| Molecular Weight | 2196.00 g/mol |
| Exact Mass | 2192.98 |
| IUPAC Name | N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclohexanecarboxamide;N-[3-chloro-4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide |
| SMILES | COc1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.Cc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1NC(=O)C1CCCCC1.Cc1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.Cc1cccc2[nH]c(-c3ccc(NC(=O)C4CCCCC4)cc3)nc12.O=C(Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(Cl)c1)C1CCCCC1.O=C(c1ccccc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1 |
| InChI | InChI=1S/C27H25N3O2.C21H22ClN3O.C21H23N3O2.2C21H23N3O.C20H19Cl2N3O/c31-25(18-7-3-1-4-8-18)21-13-16-23-24(17-21)30-26(29-23)19-11-14-22(15-12-19)28-27(32)20-9-5-2-6-10-20;1-13-11-15(20-23-18-10-8-16(22)12-19(18)24-20)7-9-17(13)25-21(26)14-5-3-2-4-6-14;1-26-17-11-12-18-19(13-17)24-20(23-18)14-7-9-16(10-8-14)22-21(25)15-5-3-2-4-6-15;1-14-6-5-9-18-19(14)24-20(23-18)15-10-12-17(13-11-15)22-21(25)16-7-3-2-4-8-16;1-14-7-12-18-19(13-14)24-20(23-18)15-8-10-17(11-9-15)22-21(25)16-5-3-2-4-6-16;21-13-6-9-17-18(10-13)25-19(24-17)15-8-7-14(11-16(15)22)23-20(26)12-4-2-1-3-5-12/h1,3-4,7-8,11-17,20H,2,5-6,9-10H2,(H,28,32)(H,29,30);7-12,14H,2-6H2,1H3,(H,23,24)(H,25,26);7-13,15H,2-6H2,1H3,(H,22,25)(H,23,24);5-6,9-13,16H,2-4,7-8H2,1H3,(H,22,25)(H,23,24);7-13,16H,2-6H2,1H3,(H,22,25)(H,23,24);6-12H,1-5H2,(H,23,26)(H,24,25) |
| InChIKey | ABGLQFFOTUSUAN-UHFFFAOYSA-N |
| XLogP | 32.62 |
| TPSA | 372.98 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 160 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2196.00 |
| LogP ≤ 5 | 32.62 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 14 |