[2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol

C16H16N2OS — CID 63812601

IUPAC[2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1ccc(Sc2nc3ccccn3c2CO)c(C)c1
InChIInChI=1S/C16H16N2OS/c1-11-6-7-14(12(2)9-11)20-16-13(10-19)18-8-4-3-5-15(18)17-16/h3-9,19H,10H2,1-2H3
InChIKeyMXNASULHVLWDDL-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.59
Rot. Bonds3

About [2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol

[2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 63812601) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID63812601
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name[2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1ccc(Sc2nc3ccccn3c2CO)c(C)c1
InChIInChI=1S/C16H16N2OS/c1-11-6-7-14(12(2)9-11)20-16-13(10-19)18-8-4-3-5-15(18)17-16/h3-9,19H,10H2,1-2H3
InChIKeyMXNASULHVLWDDL-UHFFFAOYSA-N
XLogP3.59
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol (CID 63812601) is [2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol is Cc1ccc(Sc2nc3ccccn3c2CO)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is MXNASULHVLWDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-6-7-14(12(2)9-11)20-16-13(10-19)18-8-4-3-5-15(18)17-16/h3-9,19H,10H2,1-2H3.
What are the key properties of [2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol?
[2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 284.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 63812601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).