B5E
Summary
| Name: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine |
| Formula: | C25 H24 F3 N3 |
| Formal charge: | 0 |
| Formula weight: | 423.473 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H24F3N3/c1-2-18-7-3-4-8-19(18)20-12-11-17(15-21(20)25(26,27)28)16-29-14-13-24-30-22-9-5-6-10-23(22)31-24/h3-12,15,29H,2,13-14,16H2,1H3,(H,30,31) |
| InChIKey | InChI | 1.03 | VVMDVSURHYWQPU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3 |
