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

C17H16N2O2 — CID 43477979

IUPAC2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)c1ccc(Oc2nc3ccccn3c2C=O)cc1
InChIInChI=1S/C17H16N2O2/c1-12(2)13-6-8-14(9-7-13)21-17-15(11-20)19-10-4-3-5-16(19)18-17/h3-12H,1-2H3
InChIKeyQGRYIJHGQHHXSI-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.06
Rot. Bonds4

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

2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 43477979) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID43477979
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)c1ccc(Oc2nc3ccccn3c2C=O)cc1
InChIInChI=1S/C17H16N2O2/c1-12(2)13-6-8-14(9-7-13)21-17-15(11-20)19-10-4-3-5-16(19)18-17/h3-12H,1-2H3
InChIKeyQGRYIJHGQHHXSI-UHFFFAOYSA-N
XLogP4.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.06
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-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62548393
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-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477950
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-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62338465
2-(2,5-dichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477975
2-propan-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 76849577
2-(4-bromo-2-fluorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478038
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803907

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 43477979) is 2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is CC(C)c1ccc(Oc2nc3ccccn3c2C=O)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is QGRYIJHGQHHXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(2)13-6-8-14(9-7-13)21-17-15(11-20)19-10-4-3-5-16(19)18-17/h3-12H,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 280.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 43477979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).