C232H224Br3Cl9F3N27O10 — CID 160755222
3-bromo-N-butyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;5-chloro-2-methoxy-N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3,4-dichloro-N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 160755222) has the molecular formula C232H224Br3Cl9F3N27O10 and a molecular weight of 4166.31 g/mol. Its IUPAC name is 3-bromo-N-butyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;5-chloro-2-methoxy-N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3,4-dichloro-N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]-3-(trifluoromethyl)benzamide.
| Compound Name | 3-bromo-N-butyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;5-chloro-2-methoxy-N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3,4-dichloro-N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 160755222 |
| Molecular Formula | C232H224Br3Cl9F3N27O10 |
| Molecular Weight | 4166.31 g/mol |
| Exact Mass | 4156.25 |
| IUPAC Name | 3-bromo-N-butyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;5-chloro-2-methoxy-N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3,4-dichloro-N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]-3-(trifluoromethyl)benzamide |
| SMILES | CC(C)CCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cc(Cl)ccc1Cl.CC(C)CCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cccc(C(F)(F)F)c1.CC(C)CN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1.CC(C)CN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cccc(Br)c1.CCCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cc(Cl)ccc1Cl.CCCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cccc(Br)c1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cc(Cl)ccc1Cl.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cccc(Br)c1.COc1ccc(Cl)cc1C(=O)N(CCC(C)C)Cc1nc2ccccc2n1-c1ccccc1 |
| InChI | InChI=1S/C27H28ClN3O2.C27H26F3N3O.C26H26BrN3O.2C26H25Cl2N3O.2C25H24BrN3O.2C25H23Cl2N3O/c1-19(2)15-16-30(27(32)22-17-20(28)13-14-25(22)33-3)18-26-29-23-11-7-8-12-24(23)31(26)21-9-5-4-6-10-21;1-19(2)15-16-32(26(34)20-9-8-10-21(17-20)27(28,29)30)18-25-31-23-13-6-7-14-24(23)33(25)22-11-4-3-5-12-22;1-2-3-9-17-29(26(31)20-11-10-12-21(27)18-20)19-25-28-23-15-7-8-16-24(23)30(25)22-13-5-4-6-14-22;1-18(2)14-15-30(26(32)21-16-19(27)12-13-22(21)28)17-25-29-23-10-6-7-11-24(23)31(25)20-8-4-3-5-9-20;1-2-3-9-16-30(26(32)21-17-19(27)14-15-22(21)28)18-25-29-23-12-7-8-13-24(23)31(25)20-10-5-4-6-11-20;1-18(2)16-28(25(30)19-9-8-10-20(26)15-19)17-24-27-22-13-6-7-14-23(22)29(24)21-11-4-3-5-12-21;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;1-17(2)15-29(25(31)18-12-13-20(26)21(27)14-18)16-24-28-22-10-6-7-11-23(22)30(24)19-8-4-3-5-9-19;1-2-3-15-29(25(31)20-16-18(26)13-14-21(20)27)17-24-28-22-11-7-8-12-23(22)30(24)19-9-5-4-6-10-19/h4-14,17,19H,15-16,18H2,1-3H3;3-14,17,19H,15-16,18H2,1-2H3;4-8,10-16,18H,2-3,9,17,19H2,1H3;3-13,16,18H,14-15,17H2,1-2H3;4-8,10-15,17H,2-3,9,16,18H2,1H3;3-15,18H,16-17H2,1-2H3;4-15,17H,2-3,16,18H2,1H3;3-14,17H,15-16H2,1-2H3;4-14,16H,2-3,15,17H2,1H3 |
| InChIKey | RXILKRIKGAWWSL-UHFFFAOYSA-N |
| XLogP | 59.64 |
| TPSA | 352.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 284 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4166.31 |
| LogP ≤ 5 | 59.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|