2-butyl-3-methyl-1-(2-oxo-2-phenylethyl)-1H-benzimidazol-3-ium--bromide (1/1)
Chemical Structure Depiction of
2-butyl-3-methyl-1-(2-oxo-2-phenylethyl)-1H-benzimidazol-3-ium--bromide (1/1)
2-butyl-3-methyl-1-(2-oxo-2-phenylethyl)-1H-benzimidazol-3-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 2332-0859 |
| Compound Name: | 2-butyl-3-methyl-1-(2-oxo-2-phenylethyl)-1H-benzimidazol-3-ium--bromide (1/1) |
| Molecular Weight: | 387.32 |
| Molecular Formula: | C20 H23 N2 O |
| Salt: | Br- |
| Smiles: | CCCCc1n(CC(c2ccccc2)=O)c2ccccc2[n+]1C |
| Stereo: | ACHIRAL |
| logP: | 4.3137 |
| logD: | 4.3137 |
| logSw: | -4.2463 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 16.9204 |
| InChI Key: | NKMXECOFTMWDBU-UHFFFAOYSA-N |