C169H167ClF3N21O7 — CID 158032872
N-butyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-4-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-2-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-N-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 158032872) has the molecular formula C169H167ClF3N21O7 and a molecular weight of 2696.78 g/mol. Its IUPAC name is N-butyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-4-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-2-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-N-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.
| Compound Name | N-butyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-4-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-2-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-N-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide |
|---|---|
| PubChem CID | 158032872 |
| Molecular Formula | C169H167ClF3N21O7 |
| Molecular Weight | 2696.78 g/mol |
| Exact Mass | 2694.30 |
| IUPAC Name | N-butyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-4-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-2-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-3-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-N-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide |
| SMILES | CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(C)cc1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(F)cc1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cccc(C)c1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cccc(F)c1.CCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccccc1C.CCCn1c(CN(C)C(=O)c2cccc(F)c2)nc2ccccc21.CN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1cccc(Cl)c1 |
| InChI | InChI=1S/3C26H27N3O.2C25H24FN3O.C22H18ClN3O.C19H20FN3O/c1-3-4-17-28(26(30)21-12-10-11-20(2)18-21)19-25-27-23-15-8-9-16-24(23)29(25)22-13-6-5-7-14-22;1-3-4-18-28(26(30)22-15-9-8-12-20(22)2)19-25-27-23-16-10-11-17-24(23)29(25)21-13-6-5-7-14-21;1-3-4-18-28(26(30)21-16-14-20(2)15-17-21)19-25-27-23-12-8-9-13-24(23)29(25)22-10-6-5-7-11-22;1-2-3-16-28(25(30)19-10-9-11-20(26)17-19)18-24-27-22-14-7-8-15-23(22)29(24)21-12-5-4-6-13-21;1-2-3-17-28(25(30)19-13-15-20(26)16-14-19)18-24-27-22-11-7-8-12-23(22)29(24)21-9-5-4-6-10-21;1-25(22(27)16-8-7-9-17(23)14-16)15-21-24-19-12-5-6-13-20(19)26(21)18-10-3-2-4-11-18;1-3-11-23-17-10-5-4-9-16(17)21-18(23)13-22(2)19(24)14-7-6-8-15(20)12-14/h5-16,18H,3-4,17,19H2,1-2H3;2*5-17H,3-4,18-19H2,1-2H3;4-15,17H,2-3,16,18H2,1H3;4-16H,2-3,17-18H2,1H3;2-14H,15H2,1H3;4-10,12H,3,11,13H2,1-2H3 |
| InChIKey | FHJUNOIHYKGJOI-UHFFFAOYSA-N |
| XLogP | 37.35 |
| TPSA | 266.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2696.78 |
| LogP ≤ 5 | 37.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |