C114H124Br3Cl6N15O5S — CID 158215285
3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-ethylbenzamide;3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-propylbenzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide (PubChem CID 158215285) has the molecular formula C114H124Br3Cl6N15O5S and a molecular weight of 2268.84 g/mol. Its IUPAC name is 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-ethylbenzamide;3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-propylbenzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide.
| Compound Name | 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-ethylbenzamide;3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-propylbenzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide |
|---|---|
| PubChem CID | 158215285 |
| Molecular Formula | C114H124Br3Cl6N15O5S |
| Molecular Weight | 2268.84 g/mol |
| Exact Mass | 2261.53 |
| IUPAC Name | 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-ethylbenzamide;3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-propylbenzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide |
| SMILES | C=CCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(Br)c1.CCCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1ccc(C)s1.CCCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1ccc(Cl)c(C)c1.CCCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(Br)c1.CCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(Br)c1 |
| InChI | InChI=1S/C24H27Cl2N3O.C23H25BrClN3O.C23H23BrClN3O.C22H23BrClN3O.C22H26ClN3OS/c1-3-12-28(24(30)17-8-10-20(26)16(2)13-17)15-23-27-21-11-9-18(25)14-22(21)29(23)19-6-4-5-7-19;2*1-2-12-27(23(29)16-6-5-7-17(24)13-16)15-22-26-20-11-10-18(25)14-21(20)28(22)19-8-3-4-9-19;1-2-26(22(28)15-6-5-7-16(23)12-15)14-21-25-19-11-10-17(24)13-20(19)27(21)18-8-3-4-9-18;1-3-12-25(22(27)20-11-8-15(2)28-20)14-21-24-18-10-9-16(23)13-19(18)26(21)17-6-4-5-7-17/h8-11,13-14,19H,3-7,12,15H2,1-2H3;5-7,10-11,13-14,19H,2-4,8-9,12,15H2,1H3;2,5-7,10-11,13-14,19H,1,3-4,8-9,12,15H2;5-7,10-13,18H,2-4,8-9,14H2,1H3;8-11,13,17H,3-7,12,14H2,1-2H3 |
| InChIKey | GCONILTZDZKUGX-UHFFFAOYSA-N |
| XLogP | 32.29 |
| TPSA | 190.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 144 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2268.84 |
| LogP ≤ 5 | 32.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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