2-ethyl-1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-1H-benzimidazol-3-ium
Chemical Structure Depiction of
2-ethyl-1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-1H-benzimidazol-3-ium
2-ethyl-1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-1H-benzimidazol-3-ium
Compound characteristics
| Compound ID: | 3910-0434 |
| Compound Name: | 2-ethyl-1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-1H-benzimidazol-3-ium |
| Molecular Weight: | 452.33 |
| Molecular Formula: | C20 H25 N2 O2 |
| Salt: | I- |
| Smiles: | CCc1n(CC(COc2cccc(C)c2)O)c2ccccc2[n+]1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2569 |
| logD: | 4.2569 |
| logSw: | -4.2455 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.7921 |
| InChI Key: | UIAXCPGPZMQWRW-INIZCTEOSA-N |