1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2-propyl-1H-benzimidazol-3-ium
Chemical Structure Depiction of
1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2-propyl-1H-benzimidazol-3-ium
1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2-propyl-1H-benzimidazol-3-ium
Compound characteristics
| Compound ID: | 5491-0339 |
| Compound Name: | 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2-propyl-1H-benzimidazol-3-ium |
| Molecular Weight: | 466.36 |
| Molecular Formula: | C21 H27 N2 O2 |
| Salt: | I- |
| Smiles: | CCCc1n(CC(COc2ccccc2C)O)c2ccccc2[n+]1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.912 |
| logD: | 4.912 |
| logSw: | -4.5345 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8787 |
| InChI Key: | LMBQFKLPVFUKAT-KRWDZBQOSA-N |