3-ethyl-1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-methyl-1H-benzimidazol-3-ium
Chemical Structure Depiction of
3-ethyl-1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-methyl-1H-benzimidazol-3-ium
3-ethyl-1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-methyl-1H-benzimidazol-3-ium
Compound characteristics
| Compound ID: | 5010-0657 |
| Compound Name: | 3-ethyl-1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-methyl-1H-benzimidazol-3-ium |
| Molecular Weight: | 468.33 |
| Molecular Formula: | C20 H25 N2 O3 |
| Salt: | I- |
| Smiles: | CC[n+]1c2ccccc2n(CC(COc2cccc(c2)OC)O)c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8226 |
| logD: | 3.8226 |
| logSw: | -3.9306 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.23 |
| InChI Key: | WANZZHHVZZCVKI-INIZCTEOSA-N |