3-[(5-nitrothiophen-2-yl)methylidene]-9-[2-(piperidin-1-yl)ethyl]-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
Chemical Structure Depiction of
3-[(5-nitrothiophen-2-yl)methylidene]-9-[2-(piperidin-1-yl)ethyl]-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
3-[(5-nitrothiophen-2-yl)methylidene]-9-[2-(piperidin-1-yl)ethyl]-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
Compound characteristics
Compound ID: | 3312-0084 |
Compound Name: | 3-[(5-nitrothiophen-2-yl)methylidene]-9-[2-(piperidin-1-yl)ethyl]-3H-imidazo[1,2-a]benzimidazol-2(9H)-one |
Molecular Weight: | 423.49 |
Molecular Formula: | C21 H21 N5 O3 S |
Smiles: | C1CCN(CC1)CCN1C2=NC(/C(=C/c3ccc([N+]([O-])=O)s3)N2c2ccccc12)=O |
Stereo: | ACHIRAL |
logP: | 3.3711 |
logD: | 1.2291 |
logSw: | -3.7463 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 66.087 |
InChI Key: | MKPFBDPGRKHIDN-UHFFFAOYSA-N |