C140H170Cl8N18O7 — CID 158037135
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide;4-butyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-ethoxy-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 158037135) has the molecular formula C140H170Cl8N18O7 and a molecular weight of 2500.64 g/mol. Its IUPAC name is N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide;4-butyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-ethoxy-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.
| Compound Name | N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide;4-butyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-ethoxy-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide |
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| PubChem CID | 158037135 |
| Molecular Formula | C140H170Cl8N18O7 |
| Molecular Weight | 2500.64 g/mol |
| Exact Mass | 2495.10 |
| IUPAC Name | N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide;4-butyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-ethoxy-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide |
| SMILES | CCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccccc1Cl.CCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccccc1Cl.CCCCc1ccc(C(=O)N(Cc2nc3ccccc3n2CCC)CC(C)C)cc1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(OCC)cc2)nc2ccccc21.CCCn1c(CN(CC(C)C)C(=O)c2ccccc2Cl)nc2ccc(Cl)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccccc2Cl)nc2ccc(Cl)cc21 |
| InChI | InChI=1S/C26H35N3O.C24H31N3O2.2C23H27Cl2N3O.2C22H25Cl2N3O/c1-5-7-10-21-13-15-22(16-14-21)26(30)28(18-20(3)4)19-25-27-23-11-8-9-12-24(23)29(25)17-6-2;1-5-15-27-22-10-8-7-9-21(22)25-23(27)17-26(16-18(3)4)24(28)19-11-13-20(14-12-19)29-6-2;1-4-12-28-21-14-17(24)9-10-20(21)26-22(28)15-27(13-11-16(2)3)23(29)18-7-5-6-8-19(18)25;1-3-5-8-14-27(23(29)18-9-6-7-10-19(18)25)16-22-26-20-12-11-17(24)15-21(20)28(22)13-4-2;1-4-11-27-20-12-16(23)9-10-19(20)25-21(27)14-26(13-15(2)3)22(28)17-7-5-6-8-18(17)24;1-3-5-13-26(22(28)17-8-6-7-9-18(17)24)15-21-25-19-11-10-16(23)14-20(19)27(21)12-4-2/h8-9,11-16,20H,5-7,10,17-19H2,1-4H3;7-14,18H,5-6,15-17H2,1-4H3;5-10,14,16H,4,11-13,15H2,1-3H3;6-7,9-12,15H,3-5,8,13-14,16H2,1-2H3;5-10,12,15H,4,11,13-14H2,1-3H3;6-11,14H,3-5,12-13,15H2,1-2H3 |
| InChIKey | FHWUPUIKPBSHKX-UHFFFAOYSA-N |
| XLogP | 36.51 |
| TPSA | 238.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 173 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2500.64 |
| LogP ≤ 5 | 36.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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