C117H124BrCl7FI2N15O7 — CID 158485752
3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;5-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-prop-2-enylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-propylbenzamide (PubChem CID 158485752) has the molecular formula C117H124BrCl7FI2N15O7 and a molecular weight of 2453.26 g/mol. Its IUPAC name is 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;5-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-prop-2-enylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-propylbenzamide.
| Compound Name | 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;5-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-prop-2-enylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-propylbenzamide |
|---|---|
| PubChem CID | 158485752 |
| Molecular Formula | C117H124BrCl7FI2N15O7 |
| Molecular Weight | 2453.26 g/mol |
| Exact Mass | 2447.49 |
| IUPAC Name | 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;5-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-prop-2-enylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-propylbenzamide |
| SMILES | C=CCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1OC.C=CCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(I)c1.CCCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1ccc(F)c(Br)c1.CCCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(I)c1 |
| InChI | InChI=1S/C24H27Cl2N3O2.C24H25Cl2N3O2.C23H24BrClFN3O.C23H25ClIN3O.C23H23ClIN3O/c2*1-3-12-28(24(30)19-13-16(25)9-11-22(19)31-2)15-23-27-20-10-8-17(26)14-21(20)29(23)18-6-4-5-7-18;1-2-11-28(23(30)15-7-9-19(26)18(24)12-15)14-22-27-20-10-8-16(25)13-21(20)29(22)17-5-3-4-6-17;2*1-2-12-27(23(29)16-6-5-7-18(25)13-16)15-22-26-20-11-10-17(24)14-21(20)28(22)19-8-3-4-9-19/h8-11,13-14,18H,3-7,12,15H2,1-2H3;3,8-11,13-14,18H,1,4-7,12,15H2,2H3;7-10,12-13,17H,2-6,11,14H2,1H3;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 |
| InChIKey | HIBQJYPAVXMFML-UHFFFAOYSA-N |
| XLogP | 32.27 |
| TPSA | 209.11 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 150 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2453.26 |
| LogP ≤ 5 | 32.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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