6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine

C21H20N2OS — CID 44588983

IUPAC6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ccco2)cn2c(CSCCc3ccccc3)cnc12
InChIInChI=1S/C21H20N2OS/c1-16-12-18(20-8-5-10-24-20)14-23-19(13-22-21(16)23)15-25-11-9-17-6-3-2-4-7-17/h2-8,10,12-14H,9,11,15H2,1H3
InChIKeyPOCCTGUWTKHLJG-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.38
Rot. Bonds6

About 6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine

6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 44588983) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID44588983
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ccco2)cn2c(CSCCc3ccccc3)cnc12
InChIInChI=1S/C21H20N2OS/c1-16-12-18(20-8-5-10-24-20)14-23-19(13-22-21(16)23)15-25-11-9-17-6-3-2-4-7-17/h2-8,10,12-14H,9,11,15H2,1H3
InChIKeyPOCCTGUWTKHLJG-UHFFFAOYSA-N
XLogP5.38
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 44588983) is 6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is Cc1cc(-c2ccco2)cn2c(CSCCc3ccccc3)cnc12.
What is the InChIKey of 6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is POCCTGUWTKHLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-16-12-18(20-8-5-10-24-20)14-23-19(13-22-21(16)23)15-25-11-9-17-6-3-2-4-7-17/h2-8,10,12-14H,9,11,15H2,1H3.
What are the key properties of 6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 348.47 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 44588983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).