1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5010-0575 |
| Compound Name: | 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 452.29 |
| Molecular Formula: | C19 H21 N2 O3 |
| Salt: | I- |
| Smiles: | CC(c1ccc(cc1)OCC(Cn1c[n+](C)c2ccccc12)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.391 |
| logD: | 2.391 |
| logSw: | -2.4716 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.906 |
| InChI Key: | OMNRPNDUFUEXKO-INIZCTEOSA-N |