2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-1H-benzimidazol-3-ium--chloride (1/1)
Chemical Structure Depiction of
2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-1H-benzimidazol-3-ium--chloride (1/1)
2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-1H-benzimidazol-3-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 0086-0094 |
| Compound Name: | 2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-1H-benzimidazol-3-ium--chloride (1/1) |
| Molecular Weight: | 304.77 |
| Molecular Formula: | C16 H17 N2 O2 |
| Salt: | Cl- |
| Smiles: | Cn1c2ccccc2[n+](C)c1c1ccc(c(c1)OC)O |
| Stereo: | ACHIRAL |
| logP: | 2.7723 |
| logD: | 2.7626 |
| logSw: | -2.8764 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.7002 |
| InChI Key: | IFQXIZJEJIIFQP-UHFFFAOYSA-O |