3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine

C20H19N3S — CID 25110666

IUPAC3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine
SMILESCc1cc(-n2cccc2)c2ncc(CSCc3ccccc3)n2c1
InChIInChI=1S/C20H19N3S/c1-16-11-19(22-9-5-6-10-22)20-21-12-18(23(20)13-16)15-24-14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3
InChIKeyLNPAIIRCMPZASI-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.87
Rot. Bonds5

About 3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine

3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine (PubChem CID 25110666) has the molecular formula C20H19N3S and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine
PubChem CID25110666
Molecular FormulaC20H19N3S
Molecular Weight333.46 g/mol
Exact Mass333.13
IUPAC Name3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine
SMILESCc1cc(-n2cccc2)c2ncc(CSCc3ccccc3)n2c1
InChIInChI=1S/C20H19N3S/c1-16-11-19(22-9-5-6-10-22)20-21-12-18(23(20)13-16)15-24-14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3
InChIKeyLNPAIIRCMPZASI-UHFFFAOYSA-N
XLogP4.87
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine (CID 25110666) is 3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine is Cc1cc(-n2cccc2)c2ncc(CSCc3ccccc3)n2c1.
What is the InChIKey of 3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine?
The InChIKey is LNPAIIRCMPZASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3S/c1-16-11-19(22-9-5-6-10-22)20-21-12-18(23(20)13-16)15-24-14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3.
What are the key properties of 3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine?
3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine has a molecular weight of 333.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfanylmethyl)-6-methyl-8-pyrrol-1-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 25110666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).