1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-ethyl-2-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-ethyl-2-methyl-1H-benzimidazol-3-ium--iodide (1/1)
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-ethyl-2-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5010-0676 |
| Compound Name: | 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-ethyl-2-methyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 480.34 |
| Molecular Formula: | C21 H25 N2 O3 |
| Salt: | I- |
| Smiles: | CC[n+]1c2ccccc2n(CC(COc2ccc(cc2)C(C)=O)O)c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3171 |
| logD: | 3.3171 |
| logSw: | -3.1427 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.513 |
| InChI Key: | RFWHNLFHZQBJJY-SFHVURJKSA-N |