2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine

C15H14N2S — CID 914413

IUPAC2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H14N2S/c1-12-5-7-14(8-6-12)18-11-13-10-17-9-3-2-4-15(17)16-13/h2-10H,11H2,1H3
InChIKeyOHGUYWPHYZYOPF-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.94
Rot. Bonds3

About 2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine

2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 914413) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID914413
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H14N2S/c1-12-5-7-14(8-6-12)18-11-13-10-17-9-3-2-4-15(17)16-13/h2-10H,11H2,1H3
InChIKeyOHGUYWPHYZYOPF-UHFFFAOYSA-N
XLogP3.94
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 914413) is 2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1ccc(SCc2cn3ccccc3n2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is OHGUYWPHYZYOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-12-5-7-14(8-6-12)18-11-13-10-17-9-3-2-4-15(17)16-13/h2-10H,11H2,1H3.
What are the key properties of 2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 254.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 914413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).