2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid

C15H12N2O2S — CID 3261728

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid
SMILESO=C(O)c1ccccc1SCc1cn2ccccc2n1
InChIInChI=1S/C15H12N2O2S/c18-15(19)12-5-1-2-6-13(12)20-10-11-9-17-8-4-3-7-14(17)16-11/h1-9H,10H2,(H,18,19)
InChIKeyCBAVIAGQTYCOIL-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.32
Rot. Bonds4

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid (PubChem CID 3261728) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid
PubChem CID3261728
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid
SMILESO=C(O)c1ccccc1SCc1cn2ccccc2n1
InChIInChI=1S/C15H12N2O2S/c18-15(19)12-5-1-2-6-13(12)20-10-11-9-17-8-4-3-7-14(17)16-11/h1-9H,10H2,(H,18,19)
InChIKeyCBAVIAGQTYCOIL-UHFFFAOYSA-N
XLogP3.32
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid (CID 3261728) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid is O=C(O)c1ccccc1SCc1cn2ccccc2n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid?
The InChIKey is CBAVIAGQTYCOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-15(19)12-5-1-2-6-13(12)20-10-11-9-17-8-4-3-7-14(17)16-11/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid has a molecular weight of 284.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid is sourced from PubChem (CID 3261728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).