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

C17H16N2O2 — CID 62548393

IUPAC2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCCc1ccc(Oc2nc3ccccn3c2C=O)cc1
InChIInChI=1S/C17H16N2O2/c1-2-5-13-7-9-14(10-8-13)21-17-15(12-20)19-11-4-3-6-16(19)18-17/h3-4,6-12H,2,5H2,1H3
InChIKeyIEWOVDGLWQTTOJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.89
Rot. Bonds5

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

2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 62548393) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID62548393
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCCc1ccc(Oc2nc3ccccn3c2C=O)cc1
InChIInChI=1S/C17H16N2O2/c1-2-5-13-7-9-14(10-8-13)21-17-15(12-20)19-11-4-3-6-16(19)18-17/h3-4,6-12H,2,5H2,1H3
InChIKeyIEWOVDGLWQTTOJ-UHFFFAOYSA-N
XLogP3.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.89
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-(4-ethylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477988
2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477979
2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62338465
2-(3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478005
2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 83140955
2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477926
2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 104707934
2-(2,5-dichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477975
2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82223320
2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61360290
2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477823
2-propan-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 76849577

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 62548393) is 2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is CCCc1ccc(Oc2nc3ccccn3c2C=O)cc1.
What is the InChIKey of 2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is IEWOVDGLWQTTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-5-13-7-9-14(10-8-13)21-17-15(12-20)19-11-4-3-6-16(19)18-17/h3-4,6-12H,2,5H2,1H3.
What are the key properties of 2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 280.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 62548393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).