2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde

C16H18N2O — CID 82120163

IUPAC2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCc1ccc(-c2nc3n(c2C=O)CCCC3)cc1
InChIInChI=1S/C16H18N2O/c1-2-12-6-8-13(9-7-12)16-14(11-19)18-10-4-3-5-15(18)17-16/h6-9,11H,2-5,10H2,1H3
InChIKeyUABPRKFABWFZSX-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.26
Rot. Bonds3

About 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde

2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 82120163) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID82120163
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCc1ccc(-c2nc3n(c2C=O)CCCC3)cc1
InChIInChI=1S/C16H18N2O/c1-2-12-6-8-13(9-7-12)16-14(11-19)18-10-4-3-5-15(18)17-16/h6-9,11H,2-5,10H2,1H3
InChIKeyUABPRKFABWFZSX-UHFFFAOYSA-N
XLogP3.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.26
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)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde (CID 82120163) is 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde is CCc1ccc(-c2nc3n(c2C=O)CCCC3)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is UABPRKFABWFZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-12-6-8-13(9-7-12)16-14(11-19)18-10-4-3-5-15(18)17-16/h6-9,11H,2-5,10H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde?
2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 254.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 82120163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).