2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde

C17H16N2O — CID 82223320

IUPAC2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCc1ccc(Cc2nc3ccccn3c2C=O)cc1
InChIInChI=1S/C17H16N2O/c1-2-13-6-8-14(9-7-13)11-15-16(12-20)19-10-4-3-5-17(19)18-15/h3-10,12H,2,11H2,1H3
InChIKeyYDFNUPLVSNEZBH-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.30
Rot. Bonds4

About 2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde

2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 82223320) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID82223320
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCc1ccc(Cc2nc3ccccn3c2C=O)cc1
InChIInChI=1S/C17H16N2O/c1-2-13-6-8-14(9-7-13)11-15-16(12-20)19-10-4-3-5-17(19)18-15/h3-10,12H,2,11H2,1H3
InChIKeyYDFNUPLVSNEZBH-UHFFFAOYSA-N
XLogP3.30
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 82223320) is 2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde is CCc1ccc(Cc2nc3ccccn3c2C=O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is YDFNUPLVSNEZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-13-6-8-14(9-7-13)11-15-16(12-20)19-10-4-3-5-17(19)18-15/h3-10,12H,2,11H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 264.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 82223320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).