4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid

C20H14N2O2 — CID 71456543

IUPAC4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C20H14N2O2/c23-20(24)16-11-9-15(10-12-16)19-18(14-6-2-1-3-7-14)21-17-8-4-5-13-22(17)19/h1-13H,(H,23,24)
InChIKeyYYJDHWVCWHQOIU-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.37
Rot. Bonds3

About 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid

4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid (PubChem CID 71456543) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid
PubChem CID71456543
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C20H14N2O2/c23-20(24)16-11-9-15(10-12-16)19-18(14-6-2-1-3-7-14)21-17-8-4-5-13-22(17)19/h1-13H,(H,23,24)
InChIKeyYYJDHWVCWHQOIU-UHFFFAOYSA-N
XLogP4.37
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid?
The IUPAC name of 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid (CID 71456543) is 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid?
The canonical SMILES for 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid is O=C(O)c1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1.
What is the InChIKey of 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid?
The InChIKey is YYJDHWVCWHQOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(24)16-11-9-15(10-12-16)19-18(14-6-2-1-3-7-14)21-17-8-4-5-13-22(17)19/h1-13H,(H,23,24).
What are the key properties of 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid?
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid has a molecular weight of 314.34 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 71456543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).