C113H120Br3Cl4F4N15O6 — CID 159857849
3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide (PubChem CID 159857849) has the molecular formula C113H120Br3Cl4F4N15O6 and a molecular weight of 2241.82 g/mol. Its IUPAC name is 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide.
| Compound Name | 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide |
|---|---|
| PubChem CID | 159857849 |
| Molecular Formula | C113H120Br3Cl4F4N15O6 |
| Molecular Weight | 2241.82 g/mol |
| Exact Mass | 2235.58 |
| IUPAC Name | 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide |
| SMILES | CC(C)CCN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(Br)c1.CC(C)CCN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(C(F)(F)F)c1.CC(C)CN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(Br)c1.CC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(Oc2ccccc2)c1.CCCCN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(Br)c1 |
| InChI | InChI=1S/C30H32FN3O2.C22H23ClF3N3O.C21H23BrClN3O.2C20H21BrClN3O/c1-21(2)19-33(30(35)22-9-8-14-26(17-22)36-25-12-4-3-5-13-25)20-29-32-27-18-23(31)15-16-28(27)34(29)24-10-6-7-11-24;1-14(2)9-10-29(21(30)15-5-4-6-16(11-15)22(24,25)26)13-20-27-18-12-17(23)7-8-19(18)28(20)3;1-14(2)9-10-26(21(27)15-5-4-6-16(22)11-15)13-20-24-18-12-17(23)7-8-19(18)25(20)3;1-13(2)11-25(20(26)14-5-4-6-15(21)9-14)12-19-23-17-10-16(22)7-8-18(17)24(19)3;1-3-4-10-25(20(26)14-6-5-7-15(21)11-14)13-19-23-17-12-16(22)8-9-18(17)24(19)2/h3-5,8-9,12-18,21,24H,6-7,10-11,19-20H2,1-2H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-10,13H,11-12H2,1-3H3;5-9,11-12H,3-4,10,13H2,1-2H3 |
| InChIKey | NQTJGRSKFJEBLF-UHFFFAOYSA-N |
| XLogP | 29.71 |
| TPSA | 199.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 145 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2241.82 |
| LogP ≤ 5 | 29.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |