C123H105F15N14O15 — CID 162130817
N-(2-hydroxyethyl)-N-methyl-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;N-(2-hydroxyethyl)-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;N-(2-hydroxy-2-methylpropyl)-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;N-(2-hydroxypropyl)-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanone (PubChem CID 162130817) has the molecular formula C123H105F15N14O15 and a molecular weight of 2304.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;N-(2-hydroxyethyl)-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;N-(2-hydroxy-2-methylpropyl)-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;N-(2-hydroxypropyl)-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanone.
| Compound Name | N-(2-hydroxyethyl)-N-methyl-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;N-(2-hydroxyethyl)-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;N-(2-hydroxy-2-methylpropyl)-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;N-(2-hydroxypropyl)-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanone |
|---|---|
| PubChem CID | 162130817 |
| Molecular Formula | C123H105F15N14O15 |
| Molecular Weight | 2304.25 g/mol |
| Exact Mass | 2302.76 |
| IUPAC Name | N-(2-hydroxyethyl)-N-methyl-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;N-(2-hydroxyethyl)-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;N-(2-hydroxy-2-methylpropyl)-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;N-(2-hydroxypropyl)-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzamide;2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanone |
| SMILES | CC(C)(O)CNC(=O)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.CC(O)CNC(=O)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.CN(CCO)C(=O)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.O=C(CO)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.O=C(NCCO)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1 |
| InChI | InChI=1S/C26H24F3N3O3.2C25H22F3N3O3.C24H20F3N3O3.C23H17F3N2O3/c1-25(2,34)15-30-24(33)20-6-4-3-5-19(20)16-7-12-21-22(13-16)32-23(31-21)14-35-18-10-8-17(9-11-18)26(27,28)29;1-15(32)13-29-24(33)20-5-3-2-4-19(20)16-6-11-21-22(12-16)31-23(30-21)14-34-18-9-7-17(8-10-18)25(26,27)28;1-31(12-13-32)24(33)20-5-3-2-4-19(20)16-6-11-21-22(14-16)30-23(29-21)15-34-18-9-7-17(8-10-18)25(26,27)28;25-24(26,27)16-6-8-17(9-7-16)33-14-22-29-20-10-5-15(13-21(20)30-22)18-3-1-2-4-19(18)23(32)28-11-12-31;24-23(25,26)15-6-8-16(9-7-15)31-13-22-27-19-10-5-14(11-20(19)28-22)17-3-1-2-4-18(17)21(30)12-29/h3-13,34H,14-15H2,1-2H3,(H,30,33)(H,31,32);2-12,15,32H,13-14H2,1H3,(H,29,33)(H,30,31);2-11,14,32H,12-13,15H2,1H3,(H,29,30);1-10,13,31H,11-12,14H2,(H,28,32)(H,29,30);1-11,29H,12-13H2,(H,27,28) |
| InChIKey | ZIQICEDPUBRBMY-UHFFFAOYSA-N |
| XLogP | 24.71 |
| TPSA | 415.38 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2304.25 |
| LogP ≤ 5 | 24.71 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 20 |