5-nitro-2-(1-phenylprop-1-en-2-yl)-1H-benzimidazole
Chemical Structure Depiction of
5-nitro-2-(1-phenylprop-1-en-2-yl)-1H-benzimidazole
5-nitro-2-(1-phenylprop-1-en-2-yl)-1H-benzimidazole
Compound characteristics
Compound ID: | 0717-0965 |
Compound Name: | 5-nitro-2-(1-phenylprop-1-en-2-yl)-1H-benzimidazole |
Molecular Weight: | 279.3 |
Molecular Formula: | C16 H13 N3 O2 |
Smiles: | C/C(=C\c1ccccc1)c1nc2cc(ccc2[nH]1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.2425 |
logD: | 4.2326 |
logSw: | -4.4298 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.639 |
InChI Key: | QCEXFVBEVUCEAA-UHFFFAOYSA-N |