4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile

C21H16N4 — CID 69125371

IUPAC4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile
SMILESCc1cnc(C/C(=C/c2ccc(C#N)cc2)c2ccc(C#N)cc2)[nH]1
InChIInChI=1S/C21H16N4/c1-15-14-24-21(25-15)11-20(19-8-6-18(13-23)7-9-19)10-16-2-4-17(12-22)5-3-16/h2-10,14H,11H2,1H3,(H,24,25)/b20-10-
InChIKeyNLOJVVGKIQLLFN-JMIUGGIZSA-N
MW324.39 g/mol
LogP4.24
Rot. Bonds4

About 4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile

4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile (PubChem CID 69125371) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile
PubChem CID69125371
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile
SMILESCc1cnc(C/C(=C/c2ccc(C#N)cc2)c2ccc(C#N)cc2)[nH]1
InChIInChI=1S/C21H16N4/c1-15-14-24-21(25-15)11-20(19-8-6-18(13-23)7-9-19)10-16-2-4-17(12-22)5-3-16/h2-10,14H,11H2,1H3,(H,24,25)/b20-10-
InChIKeyNLOJVVGKIQLLFN-JMIUGGIZSA-N
XLogP4.24
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile?
The IUPAC name of 4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile (CID 69125371) is 4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile?
The canonical SMILES for 4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile is Cc1cnc(C/C(=C/c2ccc(C#N)cc2)c2ccc(C#N)cc2)[nH]1.
What is the InChIKey of 4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile?
The InChIKey is NLOJVVGKIQLLFN-JMIUGGIZSA-N. The full InChI is InChI=1S/C21H16N4/c1-15-14-24-21(25-15)11-20(19-8-6-18(13-23)7-9-19)10-16-2-4-17(12-22)5-3-16/h2-10,14H,11H2,1H3,(H,24,25)/b20-10-.
What are the key properties of 4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile?
4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile has a molecular weight of 324.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(4-cyanophenyl)-3-(5-methyl-1H-imidazol-2-yl)prop-1-enyl]benzonitrile is sourced from PubChem (CID 69125371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).