6DH
Summary
| Name: | 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol |
| Formula: | C11 H11 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 244.213 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol |
| OpenEye OEToolkits | 1.7.6 | 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc2nc(nc2c1)CCCO |
| InChI | InChI | 1.03 | InChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-8-9(6-7)16-10(15-8)2-1-5-17/h3-4,6,17H,1-2,5H2,(H,15,16) |
| InChIKey | InChI | 1.03 | FDRMNTVCDKSRNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCc1[nH]c2cc(ccc2n1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OCCCc1[nH]c2cc(ccc2n1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO |
