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

C21H20N2OS — CID 44588984

IUPAC6-(furan-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ccoc2)cn2c(CSCCc3ccccc3)cnc12
InChIInChI=1S/C21H20N2OS/c1-16-11-19(18-7-9-24-14-18)13-23-20(12-22-21(16)23)15-25-10-8-17-5-3-2-4-6-17/h2-7,9,11-14H,8,10,15H2,1H3
InChIKeyQIONDBKEOTXOPW-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.38
Rot. Bonds6

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

6-(furan-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 44588984) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 6-(furan-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(furan-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID44588984
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name6-(furan-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ccoc2)cn2c(CSCCc3ccccc3)cnc12
InChIInChI=1S/C21H20N2OS/c1-16-11-19(18-7-9-24-14-18)13-23-20(12-22-21(16)23)15-25-10-8-17-5-3-2-4-6-17/h2-7,9,11-14H,8,10,15H2,1H3
InChIKeyQIONDBKEOTXOPW-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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Related Compounds

1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
N-(2,6-dimethylbenzyl)-6-(furan-2-yl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
CID 24890348
2-Furan-3-yl-5-imidazol-1-ylmethyl-pyridine
CID 57329785
5-(Furan-2-yl(1H-imidazol-1-yl)methyl)-2-phenylpyridine
CID 57330008
3-(Furan-2-yl)-1-phenylimidazo[1,5-a]pyridine
CID 728608
2-[(2-Furanylmethylthio)methyl]-5-methylimidazo[1,2-a]pyridine
CID 2997638
6-(furan-3-yl)-2-(3H-imidazo[4,5-c]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-4-amine
CID 44419493
5-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942625
N-[6-(furan-3-yl)-3-phenylimidazo[1,2-a]pyridin-8-yl]acetamide
CID 49791134
3-Benzyl-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridine
CID 51359014

Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-(furan-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 44588984) is 6-(furan-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(furan-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-(furan-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is Cc1cc(-c2ccoc2)cn2c(CSCCc3ccccc3)cnc12.
What is the InChIKey of 6-(furan-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is QIONDBKEOTXOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-16-11-19(18-7-9-24-14-18)13-23-20(12-22-21(16)23)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 6-(furan-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
6-(furan-3-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-3-yl)-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 44588984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).