A1E02
Summary
| Name: | 3-[2-oxidanyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1~{H}-benzimidazol-2-one |
| Formula: | C15 H8 F6 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 362.227 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[2-oxidanyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1~{H}-benzimidazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25) |
| InChIKey | InChI | 1.06 | YLFMCMWKHSDUCT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1N2C(=O)Nc3cc(ccc23)C(F)(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1N2C(=O)Nc3cc(ccc23)C(F)(F)F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(F)(F)F)NC(=O)N2c3cc(ccc3O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(F)(F)F)NC(=O)N2c3cc(ccc3O)C(F)(F)F |
