2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

C16H14N2O2 — CID 117130572

IUPAC2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCOc1ccc(Cc2cn3cc(C=O)ccc3n2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-15-5-2-12(3-6-15)8-14-10-18-9-13(11-19)4-7-16(18)17-14/h2-7,9-11H,8H2,1H3
InChIKeyPKHVAKFGVCTHRI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.75
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 117130572) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID117130572
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCOc1ccc(Cc2cn3cc(C=O)ccc3n2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-15-5-2-12(3-6-15)8-14-10-18-9-13(11-19)4-7-16(18)17-14/h2-7,9-11H,8H2,1H3
InChIKeyPKHVAKFGVCTHRI-UHFFFAOYSA-N
XLogP2.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130313
tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 155167684
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
2-(6-methoxyimidazo[1,2-a]pyridin-2-yl)ethanol
CID 115018984
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
2-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 82223597
2-[(2-fluorophenyl)methyl]-6-methoxyimidazo[1,2-a]pyridine
CID 117130419
2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 82223223
2-[(4-bromophenyl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 117130599
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129776
2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130057

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (CID 117130572) is 2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is COc1ccc(Cc2cn3cc(C=O)ccc3n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is PKHVAKFGVCTHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-15-5-2-12(3-6-15)8-14-10-18-9-13(11-19)4-7-16(18)17-14/h2-7,9-11H,8H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 266.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117130572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).