1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-ethyl-1H-benzimidazol-3-ium
Chemical Structure Depiction of
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-ethyl-1H-benzimidazol-3-ium
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-ethyl-1H-benzimidazol-3-ium
Compound characteristics
| Compound ID: | 5103-0530 |
| Compound Name: | 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-ethyl-1H-benzimidazol-3-ium |
| Molecular Weight: | 466.32 |
| Molecular Formula: | C20 H23 N2 O3 |
| Salt: | I- |
| Smiles: | CC[n+]1cn(CC(COc2ccc(cc2)C(C)=O)O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7046 |
| logD: | 2.7046 |
| logSw: | -2.7516 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.075 |
| InChI Key: | CRTQKLAPPQPGGO-KRWDZBQOSA-N |