1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-methyl-2-propyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-methyl-2-propyl-1H-benzimidazol-3-ium--iodide (1/1)
1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-methyl-2-propyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5010-0560 |
| Compound Name: | 1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-methyl-2-propyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 482.36 |
| Molecular Formula: | C21 H27 N2 O3 |
| Salt: | I- |
| Smiles: | CCCc1n(CC(COc2cccc(c2)OC)O)c2ccccc2[n+]1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3605 |
| logD: | 4.3605 |
| logSw: | -4.3488 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.336 |
| InChI Key: | PURSELRNLOKZRW-INIZCTEOSA-N |