3-ethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5,6-dimethyl-1H-benzimidazol-3-ium
Chemical Structure Depiction of
3-ethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5,6-dimethyl-1H-benzimidazol-3-ium
3-ethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5,6-dimethyl-1H-benzimidazol-3-ium
Compound characteristics
| Compound ID: | 5103-0525 |
| Compound Name: | 3-ethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5,6-dimethyl-1H-benzimidazol-3-ium |
| Molecular Weight: | 470.32 |
| Molecular Formula: | C20 H24 F N2 O2 |
| Salt: | I- |
| Smiles: | CC[n+]1cn(CC(COc2ccc(cc2)F)O)c2cc(C)c(C)cc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.256 |
| logD: | 4.256 |
| logSw: | -4.1701 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2482 |
| InChI Key: | IUQRVVBNHTWHKR-KRWDZBQOSA-N |