2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid

C16H14N2O2S — CID 5126380

IUPAC2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
SMILESCc1cccc2nc(CSc3ccccc3C(=O)O)cn12
InChIInChI=1S/C16H14N2O2S/c1-11-5-4-8-15-17-12(9-18(11)15)10-21-14-7-3-2-6-13(14)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyOBIJAFKZFWAIIE-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.63
Rot. Bonds4

About 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid

2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid (PubChem CID 5126380) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid.

Molecular Properties

Compound Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
PubChem CID5126380
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid
SMILESCc1cccc2nc(CSc3ccccc3C(=O)O)cn12
InChIInChI=1S/C16H14N2O2S/c1-11-5-4-8-15-17-12(9-18(11)15)10-21-14-7-3-2-6-13(14)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyOBIJAFKZFWAIIE-UHFFFAOYSA-N
XLogP3.63
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid?
The IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid (CID 5126380) is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid.
What is the SMILES notation for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid?
The canonical SMILES for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid is Cc1cccc2nc(CSc3ccccc3C(=O)O)cn12.
What is the InChIKey of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid?
The InChIKey is OBIJAFKZFWAIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-5-4-8-15-17-12(9-18(11)15)10-21-14-7-3-2-6-13(14)16(19)20/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid?
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid has a molecular weight of 298.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoic acid is sourced from PubChem (CID 5126380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).