4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde

C16H12N2O — CID 14042790

IUPAC4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/c2cn3ccccc3n2)cc1
InChIInChI=1S/C16H12N2O/c19-12-14-6-4-13(5-7-14)8-9-15-11-18-10-2-1-3-16(18)17-15/h1-12H/b9-8+
InChIKeySWSPEHMCMPHLOU-CMDGGOBGSA-N
MW248.28 g/mol
LogP3.32
Rot. Bonds3

About 4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde

4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde (PubChem CID 14042790) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde
PubChem CID14042790
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/c2cn3ccccc3n2)cc1
InChIInChI=1S/C16H12N2O/c19-12-14-6-4-13(5-7-14)8-9-15-11-18-10-2-1-3-16(18)17-15/h1-12H/b9-8+
InChIKeySWSPEHMCMPHLOU-CMDGGOBGSA-N
XLogP3.32
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-(4-formylphenyl)ethenyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 10754921
4-imidazo[1,2-a]pyridin-2-ylbenzaldehyde
CID 820963
2-[(E)-prop-1-enyl]imidazo[1,2-a]pyridine
CID 129127602
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
CID 113384643
(Z)-N,N-diethyl-3-imidazo[1,2-a]pyridin-2-ylprop-2-en-1-amine
CID 99933175
4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile
CID 54611473
2-[2-(4-nitro-3-phenylmethoxyphenyl)ethenyl]imidazo[1,2-a]pyridine
CID 54000152
2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine
CID 76849458
1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazole-4-carbaldehyde
CID 106716817
2-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]-4,5-dihydro-1,3-thiazole
CID 852426
2-fluoroimidazo[1,2-a]pyridine
CID 68592134
2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine
CID 79335392

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde?
The IUPAC name of 4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde (CID 14042790) is 4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde.
What is the SMILES notation for 4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde?
The canonical SMILES for 4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde is O=Cc1ccc(/C=C/c2cn3ccccc3n2)cc1.
What is the InChIKey of 4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde?
The InChIKey is SWSPEHMCMPHLOU-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H12N2O/c19-12-14-6-4-13(5-7-14)8-9-15-11-18-10-2-1-3-16(18)17-15/h1-12H/b9-8+.
What are the key properties of 4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde?
4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde has a molecular weight of 248.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde is sourced from PubChem (CID 14042790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).