4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile

C22H15N3 — CID 54611473

IUPAC4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccc(-c3cn4ccccc4n3)cc2)cc1
InChIInChI=1S/C22H15N3/c23-15-19-8-6-17(7-9-19)4-5-18-10-12-20(13-11-18)21-16-25-14-2-1-3-22(25)24-21/h1-14,16H/b5-4+
InChIKeyKYQLDLPWEDFZME-SNAWJCMRSA-N
MW321.38 g/mol
LogP5.04
Rot. Bonds3

About 4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile

4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile (PubChem CID 54611473) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile
PubChem CID54611473
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccc(-c3cn4ccccc4n3)cc2)cc1
InChIInChI=1S/C22H15N3/c23-15-19-8-6-17(7-9-19)4-5-18-10-12-20(13-11-18)21-16-25-14-2-1-3-22(25)24-21/h1-14,16H/b5-4+
InChIKeyKYQLDLPWEDFZME-SNAWJCMRSA-N
XLogP5.04
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
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-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile (CID 54611473) is 4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2ccc(-c3cn4ccccc4n3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile?
The InChIKey is KYQLDLPWEDFZME-SNAWJCMRSA-N. The full InChI is InChI=1S/C22H15N3/c23-15-19-8-6-17(7-9-19)4-5-18-10-12-20(13-11-18)21-16-25-14-2-1-3-22(25)24-21/h1-14,16H/b5-4+.
What are the key properties of 4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile?
4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile has a molecular weight of 321.38 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile is sourced from PubChem (CID 54611473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).