5-nitro-2-(2-phenyl-1H-benzimidazol-5-yl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-nitro-2-(2-phenyl-1H-benzimidazol-5-yl)-1H-isoindole-1,3(2H)-dione
5-nitro-2-(2-phenyl-1H-benzimidazol-5-yl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0918-1058 |
| Compound Name: | 5-nitro-2-(2-phenyl-1H-benzimidazol-5-yl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 384.35 |
| Molecular Formula: | C21 H12 N4 O4 |
| Smiles: | c1ccc(cc1)c1nc2cc(ccc2[nH]1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.131 |
| logD: | 4.131 |
| logSw: | -4.4858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.281 |
| InChI Key: | NKRSLIGQBHGTIZ-UHFFFAOYSA-N |