5-amino-4-(1H-benzimidazol-2-yl)-1-(2-methoxy-5-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one--hydrogen chloride (1/2)
Chemical Structure Depiction of
5-amino-4-(1H-benzimidazol-2-yl)-1-(2-methoxy-5-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one--hydrogen chloride (1/2)
5-amino-4-(1H-benzimidazol-2-yl)-1-(2-methoxy-5-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | D086-0330 |
| Compound Name: | 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-methoxy-5-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one--hydrogen chloride (1/2) |
| Molecular Weight: | 438.27 |
| Molecular Formula: | C18 H15 N5 O4 |
| Salt: | 2HCl |
| Smiles: | COc1ccc(cc1N1CC(C(=C1N)c1nc2ccccc2[nH]1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.259 |
| logD: | 2.259 |
| logSw: | -2.9147 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.701 |
| InChI Key: | RFAUBLOCDZVVBV-UHFFFAOYSA-N |