N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-4-nitroaniline
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-4-nitroaniline
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-4-nitroaniline
Compound characteristics
| Compound ID: | 0125-0168 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-4-nitroaniline |
| Molecular Weight: | 316.74 |
| Molecular Formula: | C15 H13 Cl N4 O2 |
| Smiles: | C(CNc1ccc(cc1[Cl])[N+]([O-])=O)c1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.9366 |
| logD: | 3.9301 |
| logSw: | -4.3325 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.28 |
| InChI Key: | BGAGBDAFWIXVCJ-UHFFFAOYSA-N |