4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile

C20H17N3 — CID 177218638

IUPAC4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile
SMILESCc1cccc(/C(=C/c2ccc(C#N)cc2)c2cnc[nH]2)c1C
InChIInChI=1S/C20H17N3/c1-14-4-3-5-18(15(14)2)19(20-12-22-13-23-20)10-16-6-8-17(11-21)9-7-16/h3-10,12-13H,1-2H3,(H,22,23)/b19-10-
InChIKeyOQFFOEAUPIEJDM-GRSHGNNSSA-N
MW299.38 g/mol
LogP4.49
Rot. Bonds3

About 4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile

4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile (PubChem CID 177218638) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile
PubChem CID177218638
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile
SMILESCc1cccc(/C(=C/c2ccc(C#N)cc2)c2cnc[nH]2)c1C
InChIInChI=1S/C20H17N3/c1-14-4-3-5-18(15(14)2)19(20-12-22-13-23-20)10-16-6-8-17(11-21)9-7-16/h3-10,12-13H,1-2H3,(H,22,23)/b19-10-
InChIKeyOQFFOEAUPIEJDM-GRSHGNNSSA-N
XLogP4.49
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile (CID 177218638) is 4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile is Cc1cccc(/C(=C/c2ccc(C#N)cc2)c2cnc[nH]2)c1C.
What is the InChIKey of 4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile?
The InChIKey is OQFFOEAUPIEJDM-GRSHGNNSSA-N. The full InChI is InChI=1S/C20H17N3/c1-14-4-3-5-18(15(14)2)19(20-12-22-13-23-20)10-16-6-8-17(11-21)9-7-16/h3-10,12-13H,1-2H3,(H,22,23)/b19-10-.
What are the key properties of 4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile?
4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile has a molecular weight of 299.38 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethenyl]benzonitrile is sourced from PubChem (CID 177218638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).