5-amino-4-(1H-benzimidazol-2-yl)-1-(4-butylphenyl)-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1H-benzimidazol-2-yl)-1-(4-butylphenyl)-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1H-benzimidazol-2-yl)-1-(4-butylphenyl)-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | D086-0056 |
| Compound Name: | 5-amino-4-(1H-benzimidazol-2-yl)-1-(4-butylphenyl)-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C21 H22 N4 O |
| Smiles: | CCCCc1ccc(cc1)N1CC(C(=C1N)c1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3949 |
| logD: | 4.3948 |
| logSw: | -4.4643 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.99 |
| InChI Key: | AAKJZPLRDHZNOA-UHFFFAOYSA-N |