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

C21H20N2OS — CID 44589083

IUPAC8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ccoc2)c2ncc(CSCCc3ccccc3)n2c1
InChIInChI=1S/C21H20N2OS/c1-16-11-20(18-7-9-24-14-18)21-22-12-19(23(21)13-16)15-25-10-8-17-5-3-2-4-6-17/h2-7,9,11-14H,8,10,15H2,1H3
InChIKeyOBMQRDBHNBINPM-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.38
Rot. Bonds6

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

8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 44589083) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID44589083
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ccoc2)c2ncc(CSCCc3ccccc3)n2c1
InChIInChI=1S/C21H20N2OS/c1-16-11-20(18-7-9-24-14-18)21-22-12-19(23(21)13-16)15-25-10-8-17-5-3-2-4-6-17/h2-7,9,11-14H,8,10,15H2,1H3
InChIKeyOBMQRDBHNBINPM-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 8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 44589083) is 8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is Cc1cc(-c2ccoc2)c2ncc(CSCCc3ccccc3)n2c1.
What is the InChIKey of 8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is OBMQRDBHNBINPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-16-11-20(18-7-9-24-14-18)21-22-12-19(23(21)13-16)15-25-10-8-17-5-3-2-4-6-17/h2-7,9,11-14H,8,10,15H2,1H3.
What are the key properties of 8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
8-(furan-3-yl)-6-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 8-(furan-3-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 44589083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).