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

C21H20N2OS — CID 44589082

IUPAC8-(furan-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ccco2)c2ncc(CSCCc3ccccc3)n2c1
InChIInChI=1S/C21H20N2OS/c1-16-12-19(20-8-5-10-24-20)21-22-13-18(23(21)14-16)15-25-11-9-17-6-3-2-4-7-17/h2-8,10,12-14H,9,11,15H2,1H3
InChIKeyJFABRDZLCBTPRX-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.38
Rot. Bonds6

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

8-(furan-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 44589082) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 8-(furan-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-(furan-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID44589082
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name8-(furan-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ccco2)c2ncc(CSCCc3ccccc3)n2c1
InChIInChI=1S/C21H20N2OS/c1-16-12-19(20-8-5-10-24-20)21-22-13-18(23(21)14-16)15-25-11-9-17-6-3-2-4-7-17/h2-8,10,12-14H,9,11,15H2,1H3
InChIKeyJFABRDZLCBTPRX-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
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
Aminoimidazo[1,2-a]pyridine deriv. 20
CID 5330621
2-(furan-2-yl)-N-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 7066853
2-(5-methylfuran-2-yl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 9550690
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide
CID 10247814
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide
CID 11371348
2-[2-(4-fluorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025783
N-(2,6-dimethylbenzyl)-6-(furan-2-yl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
CID 24890348
4-(4-Imidazo[1,2-a]pyridin-5-ylphenoxy)furo[3,2-c]pyridine
CID 118445551

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-(furan-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 44589082) is 8-(furan-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-(furan-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-(furan-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is Cc1cc(-c2ccco2)c2ncc(CSCCc3ccccc3)n2c1.
What is the InChIKey of 8-(furan-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is JFABRDZLCBTPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-16-12-19(20-8-5-10-24-20)21-22-13-18(23(21)14-16)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 8-(furan-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
8-(furan-2-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-2-yl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 44589082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).