1,3-dimethyl-2-(4-nitrophenyl)-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1,3-dimethyl-2-(4-nitrophenyl)-1H-benzimidazol-3-ium--iodide (1/1)
1,3-dimethyl-2-(4-nitrophenyl)-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 0086-0012 |
| Compound Name: | 1,3-dimethyl-2-(4-nitrophenyl)-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 395.2 |
| Molecular Formula: | C15 H14 N3 O2 |
| Salt: | I- |
| Smiles: | Cn1c2ccccc2[n+](C)c1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4923 |
| logD: | 3.4923 |
| logSw: | -3.6756 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.903 |
| InChI Key: | LLGSDJFJVODUHK-UHFFFAOYSA-N |