3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C17H16N2O2 — CID 142784458

IUPAC3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)c1ccc(-c2c(C(=O)O)nc3ccccn23)cc1
InChIInChI=1S/C17H16N2O2/c1-11(2)12-6-8-13(9-7-12)16-15(17(20)21)18-14-5-3-4-10-19(14)16/h3-11H,1-2H3,(H,20,21)
InChIKeyOVUHICISZBNDSZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.82
Rot. Bonds3

About 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid

3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 142784458) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID142784458
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)c1ccc(-c2c(C(=O)O)nc3ccccn23)cc1
InChIInChI=1S/C17H16N2O2/c1-11(2)12-6-8-13(9-7-12)16-15(17(20)21)18-14-5-3-4-10-19(14)16/h3-11H,1-2H3,(H,20,21)
InChIKeyOVUHICISZBNDSZ-UHFFFAOYSA-N
XLogP3.82
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 142784458) is 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid is CC(C)c1ccc(-c2c(C(=O)O)nc3ccccn23)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is OVUHICISZBNDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(2)12-6-8-13(9-7-12)16-15(17(20)21)18-14-5-3-4-10-19(14)16/h3-11H,1-2H3,(H,20,21).
What are the key properties of 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 142784458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).