3-ethyl-1-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5,6-dimethyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-ethyl-1-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5,6-dimethyl-1H-benzimidazol-3-ium--iodide (1/1)
3-ethyl-1-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5,6-dimethyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
Compound ID: | 5010-0485 |
Compound Name: | 3-ethyl-1-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5,6-dimethyl-1H-benzimidazol-3-ium--iodide (1/1) |
Molecular Weight: | 482.36 |
Molecular Formula: | C21 H27 N2 O3 |
Salt: | I- |
Smiles: | CC[n+]1cn(CC(COc2ccc(cc2)OC)O)c2cc(C)c(C)cc12 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2093 |
logD: | 4.2093 |
logSw: | -4.1733 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 34.792 |
InChI Key: | JOEKQUSSXCKNHO-KRWDZBQOSA-N |