1TU
Summary
| Name: | 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol |
| Formula: | C12 H12 F2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 254.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol |
| OpenEye OEToolkits | 1.7.6 | 5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methyl]-2,3-dimethyl-imidazol-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cc(cc(F)c1O)Cc2nc(n(c2O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C12H12F2N2O2/c1-6-15-10(12(18)16(6)2)5-7-3-8(13)11(17)9(14)4-7/h3-4,17-18H,5H2,1-2H3 |
| InChIKey | InChI | 1.03 | MSZRPLCUVKFQJC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cn1c(C)nc(Cc2cc(F)c(O)c(F)c2)c1O |
| SMILES | CACTVS | 3.370 | Cn1c(C)nc(Cc2cc(F)c(O)c(F)c2)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1nc(c(n1C)O)Cc2cc(c(c(c2)F)O)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1nc(c(n1C)O)Cc2cc(c(c(c2)F)O)F |
