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

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Related Compounds

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CID 24836810
Zolpidem carboxylic acid
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3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzoic acid
CID 20823956
4-[[5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]-2-hexylimidazol-1-yl]methyl]benzoic acid
CID 14952951
4-[[2-butyl-5-[(E)-2-carboxy-4-thiophen-2-ylbut-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952960
2,7-Dimethyl-3-{[(4-methylbenzoyl)oxy]ethanimidoyl}imidazo[1,2-a]pyridine
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2-[4-(Methylsulfonyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 1482206
(E)-3-[2-n-Butyl-1-{4-carboxyphenyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid
CID 14952944
(E)-3-[2-n-Propyl-1-{(4-carboxyphenyl)methyl}-1h-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic Acid
CID 36688250
4-(5-Imidazol-1-yl-2-pyridinyl)benzoic acid
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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).