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

C16H13N2O2S- — CID 7041795

IUPAC2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate
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)/p-1
InChIKeyOBIJAFKZFWAIIE-UHFFFAOYSA-M
MW297.36 g/mol
LogP2.30
Rot. Bonds4

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

2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate (PubChem CID 7041795) has the molecular formula C16H13N2O2S- and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate.

Molecular Properties

Compound Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate
PubChem CID7041795
Molecular FormulaC16H13N2O2S-
Molecular Weight297.36 g/mol
Exact Mass297.07
IUPAC Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate
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)/p-1
InChIKeyOBIJAFKZFWAIIE-UHFFFAOYSA-M
XLogP2.30
TPSA57.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate?
The IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate (CID 7041795) is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate.
What is the SMILES notation for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate?
The canonical SMILES for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate is Cc1cccc2nc(CSc3ccccc3C(=O)[O-])cn12.
What is the InChIKey of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate?
The InChIKey is OBIJAFKZFWAIIE-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate?
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate has a molecular weight of 297.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate is sourced from PubChem (CID 7041795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).