2-[(3-methylphenoxy)methyl]-5-nitro-1H-benzimidazole
Chemical Structure Depiction of
2-[(3-methylphenoxy)methyl]-5-nitro-1H-benzimidazole
2-[(3-methylphenoxy)methyl]-5-nitro-1H-benzimidazole
Compound characteristics
| Compound ID: | D347-1063 |
| Compound Name: | 2-[(3-methylphenoxy)methyl]-5-nitro-1H-benzimidazole |
| Molecular Weight: | 283.28 |
| Molecular Formula: | C15 H13 N3 O3 |
| Smiles: | Cc1cccc(c1)OCc1nc2cc(ccc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8292 |
| logD: | 3.8095 |
| logSw: | -4.0588 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.129 |
| InChI Key: | YJRXUEXFJIESTJ-UHFFFAOYSA-N |