2-[4-(1H-benzimidazol-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(1H-benzimidazol-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[4-(1H-benzimidazol-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8006-3072 |
| Compound Name: | 2-[4-(1H-benzimidazol-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 384.35 |
| Molecular Formula: | C21 H12 N4 O4 |
| Smiles: | c1ccc2c(c1)nc(c1ccc(cc1)N1C(c3ccc(cc3C1=O)[N+]([O-])=O)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.018 |
| logD: | 4.0162 |
| logSw: | -4.4183 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.281 |
| InChI Key: | ZVNMBWQHVNGUEM-UHFFFAOYSA-N |