C148H156Cl2F13N21O11 — CID 158849552
5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide (PubChem CID 158849552) has the molecular formula C148H156Cl2F13N21O11 and a molecular weight of 2722.89 g/mol. Its IUPAC name is 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide.
| Compound Name | 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide |
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| PubChem CID | 158849552 |
| Molecular Formula | C148H156Cl2F13N21O11 |
| Molecular Weight | 2722.89 g/mol |
| Exact Mass | 2720.15 |
| IUPAC Name | 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide |
| SMILES | C=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(Cl)ccc1OC.C=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(F)c1.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccccc1F.CCCn1c(CN(C)C(=O)c2cc(Cl)ccc2OC)nc2cc(F)ccc21 |
| InChI | InChI=1S/C22H23ClFN3O2.C22H24FN3O3.C21H22F3N3O.C21H20F3N3O.2C21H23F2N3O.C20H21ClFN3O2/c1-4-10-26(22(28)17-12-15(23)6-9-20(17)29-3)14-21-25-18-13-16(24)7-8-19(18)27(21)11-5-2;1-3-9-25(22(27)15-5-8-19-20(11-15)29-14-28-19)13-21-24-17-12-16(23)6-7-18(17)26(21)10-4-2;2*1-3-9-26(21(28)16-11-14(22)5-7-17(16)24)13-20-25-18-12-15(23)6-8-19(18)27(20)10-4-2;1-3-10-25(21(27)15-6-5-7-16(22)12-15)14-20-24-18-13-17(23)8-9-19(18)26(20)11-4-2;1-3-11-25(21(27)16-7-5-6-8-17(16)23)14-20-24-18-13-15(22)9-10-19(18)26(20)12-4-2;1-4-9-25-17-7-6-14(22)11-16(17)23-19(25)12-24(2)20(26)15-10-13(21)5-8-18(15)27-3/h4,6-9,12-13H,1,5,10-11,14H2,2-3H3;5-8,11-12H,3-4,9-10,13-14H2,1-2H3;5-8,11-12H,3-4,9-10,13H2,1-2H3;3,5-8,11-12H,1,4,9-10,13H2,2H3;5-9,12-13H,3-4,10-11,14H2,1-2H3;5-10,13H,3-4,11-12,14H2,1-2H3;5-8,10-11H,4,9,12H2,1-3H3 |
| InChIKey | IZGSAJPRIWUBMD-UHFFFAOYSA-N |
| XLogP | 33.12 |
| TPSA | 303.83 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 195 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2722.89 |
| LogP ≤ 5 | 33.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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