4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid

C17H16N2O2 — CID 82063352

IUPAC4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid
SMILESCC(C)c1cn2cc(-c3ccc(C(=O)O)cc3)ccc2n1
InChIInChI=1S/C17H16N2O2/c1-11(2)15-10-19-9-14(7-8-16(19)18-15)12-3-5-13(6-4-12)17(20)21/h3-11H,1-2H3,(H,20,21)
InChIKeyWPKWJCXMYUTOIA-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.82
Rot. Bonds3

About 4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid

4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid (PubChem CID 82063352) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid
PubChem CID82063352
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid
SMILESCC(C)c1cn2cc(-c3ccc(C(=O)O)cc3)ccc2n1
InChIInChI=1S/C17H16N2O2/c1-11(2)15-10-19-9-14(7-8-16(19)18-15)12-3-5-13(6-4-12)17(20)21/h3-11H,1-2H3,(H,20,21)
InChIKeyWPKWJCXMYUTOIA-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 4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid?
The IUPAC name of 4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid (CID 82063352) is 4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid.
What is the SMILES notation for 4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid?
The canonical SMILES for 4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid is CC(C)c1cn2cc(-c3ccc(C(=O)O)cc3)ccc2n1.
What is the InChIKey of 4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid?
The InChIKey is WPKWJCXMYUTOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(2)15-10-19-9-14(7-8-16(19)18-15)12-3-5-13(6-4-12)17(20)21/h3-11H,1-2H3,(H,20,21).
What are the key properties of 4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid?
4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic 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 4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid is sourced from PubChem (CID 82063352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).