C155H163Cl4FN22O12 — CID 159123667
N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2,5-dimethylphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-3-methoxyphenyl]cyclohexanecarboxamide;N-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;methyl 2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxylate;N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 159123667) has the molecular formula C155H163Cl4FN22O12 and a molecular weight of 2686.96 g/mol. Its IUPAC name is N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2,5-dimethylphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-3-methoxyphenyl]cyclohexanecarboxamide;N-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;methyl 2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxylate;N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide.
| Compound Name | N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2,5-dimethylphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-3-methoxyphenyl]cyclohexanecarboxamide;N-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;methyl 2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxylate;N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide |
|---|---|
| PubChem CID | 159123667 |
| Molecular Formula | C155H163Cl4FN22O12 |
| Molecular Weight | 2686.96 g/mol |
| Exact Mass | 2683.16 |
| IUPAC Name | N-[4-(1H-benzo[f]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2,5-dimethylphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-3-methoxyphenyl]cyclohexanecarboxamide;N-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;methyl 2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxylate;N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide |
| SMILES | CCCCC(=O)Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.COC(=O)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.COc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1NC(=O)C1CCCCC1.COc1cc(NC(=O)C2CCCCC2)ccc1-c1nc2ccc(Cl)cc2[nH]1.Cc1cc(-c2nc3ccc(Cl)cc3[nH]2)c(C)cc1NC(=O)C1CCCCC1.O=C(Nc1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1)C1CCCCC1 |
| InChI | InChI=1S/C25H30N4O2.C24H23N3O.C22H24ClN3O.C22H23N3O3.2C21H22ClN3O2.C20H19ClFN3O/c1-2-3-9-23(30)26-20-14-15-21-22(16-20)29-24(28-21)17-10-12-19(13-11-17)27-25(31)18-7-5-4-6-8-18;28-24(17-6-2-1-3-7-17)25-20-12-10-16(11-13-20)23-26-21-14-18-8-4-5-9-19(18)15-22(21)27-23;1-13-11-19(26-22(27)15-6-4-3-5-7-15)14(2)10-17(13)21-24-18-9-8-16(23)12-20(18)25-21;1-28-22(27)16-9-12-18-19(13-16)25-20(24-18)14-7-10-17(11-8-14)23-21(26)15-5-3-2-4-6-15;1-27-19-12-15(23-21(26)13-5-3-2-4-6-13)8-9-16(19)20-24-17-10-7-14(22)11-18(17)25-20;1-27-19-11-14(20-23-16-10-8-15(22)12-18(16)24-20)7-9-17(19)25-21(26)13-5-3-2-4-6-13;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/h10-16,18H,2-9H2,1H3,(H,26,30)(H,27,31)(H,28,29);4-5,8-15,17H,1-3,6-7H2,(H,25,28)(H,26,27);8-12,15H,3-7H2,1-2H3,(H,24,25)(H,26,27);7-13,15H,2-6H2,1H3,(H,23,26)(H,24,25);7-13H,2-6H2,1H3,(H,23,26)(H,24,25);7-13H,2-6H2,1H3,(H,23,24)(H,25,26);6-11,13H,1-5H2,(H,23,26)(H,24,25) |
| InChIKey | KGAADRDHEVWBFY-UHFFFAOYSA-N |
| XLogP | 38.70 |
| TPSA | 478.32 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2686.96 |
| LogP ≤ 5 | 38.70 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 19 |