C148H163Cl10F2N21O8 — CID 160521253
3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methyl-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-fluoro-2-methyl-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide (PubChem CID 160521253) has the molecular formula C148H163Cl10F2N21O8 and a molecular weight of 2756.60 g/mol. Its IUPAC name is 3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methyl-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-fluoro-2-methyl-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide.
| Compound Name | 3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methyl-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-fluoro-2-methyl-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide |
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| PubChem CID | 160521253 |
| Molecular Formula | C148H163Cl10F2N21O8 |
| Molecular Weight | 2756.60 g/mol |
| Exact Mass | 2749.98 |
| IUPAC Name | 3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-fluoro-4-methyl-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-fluoro-2-methyl-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide |
| SMILES | C=CCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cccc(Cl)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(F)ccc1C.CCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccc(C)c(F)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccc(OC)cc1.CCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cccc(Cl)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccccc1.CCCn1c(CN(C)C(=O)c2cccc(Cl)c2)nc2ccc(Cl)cc21 |
| InChI | InChI=1S/2C22H25ClFN3O.C22H26ClN3O2.C21H23Cl2N3O.C21H21Cl2N3O.C21H24ClN3O.C19H19Cl2N3O/c1-4-10-26(22(28)18-13-17(24)8-6-15(18)3)14-21-25-19-9-7-16(23)12-20(19)27(21)11-5-2;1-4-10-26(22(28)16-7-6-15(3)18(24)12-16)14-21-25-19-9-8-17(23)13-20(19)27(21)11-5-2;1-4-12-25(22(27)16-6-9-18(28-3)10-7-16)15-21-24-19-11-8-17(23)14-20(19)26(21)13-5-2;2*1-3-10-25(21(27)15-6-5-7-16(22)12-15)14-20-24-18-9-8-17(23)13-19(18)26(20)11-4-2;1-3-12-24(21(26)16-8-6-5-7-9-16)15-20-23-18-11-10-17(22)14-19(18)25(20)13-4-2;1-3-9-24-17-11-15(21)7-8-16(17)22-18(24)12-23(2)19(25)13-5-4-6-14(20)10-13/h2*6-9,12-13H,4-5,10-11,14H2,1-3H3;6-11,14H,4-5,12-13,15H2,1-3H3;5-9,12-13H,3-4,10-11,14H2,1-2H3;3,5-9,12-13H,1,4,10-11,14H2,2H3;5-11,14H,3-4,12-13,15H2,1-2H3;4-8,10-11H,3,9,12H2,1-2H3 |
| InChIKey | QUHISGSVTGHTJI-UHFFFAOYSA-N |
| XLogP | 37.92 |
| TPSA | 276.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 189 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2756.60 |
| LogP ≤ 5 | 37.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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