C158H199ClF2N18O9 — CID 159816995
N-butyl-3-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluoro-3-methyl-N-(3-methylbutyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-3-fluoro-4-methyl-N-(2-methylpropyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 159816995) has the molecular formula C158H199ClF2N18O9 and a molecular weight of 2567.90 g/mol. Its IUPAC name is N-butyl-3-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluoro-3-methyl-N-(3-methylbutyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-3-fluoro-4-methyl-N-(2-methylpropyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide.
| Compound Name | N-butyl-3-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluoro-3-methyl-N-(3-methylbutyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-3-fluoro-4-methyl-N-(2-methylpropyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide |
|---|---|
| PubChem CID | 159816995 |
| Molecular Formula | C158H199ClF2N18O9 |
| Molecular Weight | 2567.90 g/mol |
| Exact Mass | 2565.53 |
| IUPAC Name | N-butyl-3-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluoro-3-methyl-N-(3-methylbutyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-3-fluoro-4-methyl-N-(2-methylpropyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide |
| SMILES | CCCCN(Cc1nc2ccccc2n1C1CCCCC1)C(=O)c1cccc(Cl)c1.COc1ccc(C(=O)N(CCC(C)C)Cc2nc3ccccc3n2C2CCCCC2)cc1.COc1cccc(C(=O)N(CCC(C)C)Cc2nc3ccccc3n2C2CCCCC2)c1.COc1cccc(C(=O)N(Cc2nc3ccccc3n2C2CCCCC2)CC(C)C)c1.Cc1ccc(C(=O)N(Cc2nc3ccccc3n2C2CCCCC2)CC(C)C)cc1F.Cc1cccc(C(=O)N(CCC(C)C)Cc2nc3ccccc3n2C2CCCCC2)c1F |
| InChI | InChI=1S/C27H34FN3O.2C27H35N3O2.C26H32FN3O.C26H33N3O2.C25H30ClN3O/c1-19(2)16-17-30(27(32)22-13-9-10-20(3)26(22)28)18-25-29-23-14-7-8-15-24(23)31(25)21-11-5-4-6-12-21;1-20(2)16-17-29(27(31)21-10-9-13-23(18-21)32-3)19-26-28-24-14-7-8-15-25(24)30(26)22-11-5-4-6-12-22;1-20(2)17-18-29(27(31)21-13-15-23(32-3)16-14-21)19-26-28-24-11-7-8-12-25(24)30(26)22-9-5-4-6-10-22;1-18(2)16-29(26(31)20-14-13-19(3)22(27)15-20)17-25-28-23-11-7-8-12-24(23)30(25)21-9-5-4-6-10-21;1-19(2)17-28(26(30)20-10-9-13-22(16-20)31-3)18-25-27-23-14-7-8-15-24(23)29(25)21-11-5-4-6-12-21;1-2-3-16-28(25(30)19-10-9-11-20(26)17-19)18-24-27-22-14-7-8-15-23(22)29(24)21-12-5-4-6-13-21/h7-10,13-15,19,21H,4-6,11-12,16-18H2,1-3H3;7-10,13-15,18,20,22H,4-6,11-12,16-17,19H2,1-3H3;7-8,11-16,20,22H,4-6,9-10,17-19H2,1-3H3;7-8,11-15,18,21H,4-6,9-10,16-17H2,1-3H3;7-10,13-16,19,21H,4-6,11-12,17-18H2,1-3H3;7-11,14-15,17,21H,2-6,12-13,16,18H2,1H3 |
| InChIKey | NLSUQIWRIUJBJE-UHFFFAOYSA-N |
| XLogP | 37.93 |
| TPSA | 256.47 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2567.90 |
| LogP ≤ 5 | 37.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |