2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine

C16H16N2OS — CID 150393397

IUPAC2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(CSc2nc3ccccn3c2C)cc1
InChIInChI=1S/C16H16N2OS/c1-12-16(17-15-5-3-4-10-18(12)15)20-11-13-6-8-14(19-2)9-7-13/h3-10H,11H2,1-2H3
InChIKeyHCENNUVNEPXCTA-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.94
Rot. Bonds4

About 2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine

2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine (PubChem CID 150393397) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine
PubChem CID150393397
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(CSc2nc3ccccn3c2C)cc1
InChIInChI=1S/C16H16N2OS/c1-12-16(17-15-5-3-4-10-18(12)15)20-11-13-6-8-14(19-2)9-7-13/h3-10H,11H2,1-2H3
InChIKeyHCENNUVNEPXCTA-UHFFFAOYSA-N
XLogP3.94
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
CID 91259984
1-[2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82223243
2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine
CID 10038347
2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 27042561
3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine
CID 154707081
4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 27372827
6-benzylsulfanyl-8-(4-methoxyphenyl)-7-methylpurine
CID 25186366
2-[(4-methoxyphenyl)methylsulfanyl]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 1471230
3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole
CID 16577944
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-amine
CID 162644222
2-iodo-3-methylimidazo[1,2-a]pyridine
CID 126539861

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine (CID 150393397) is 2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine is COc1ccc(CSc2nc3ccccn3c2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine?
The InChIKey is HCENNUVNEPXCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-12-16(17-15-5-3-4-10-18(12)15)20-11-13-6-8-14(19-2)9-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine?
2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine has a molecular weight of 284.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylsulfanyl]-3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 150393397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).