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

C17H18N2S — CID 10379052

IUPAC8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cccn2c(CSCCc3ccccc3)cnc12
InChIInChI=1S/C17H18N2S/c1-14-6-5-10-19-16(12-18-17(14)19)13-20-11-9-15-7-3-2-4-8-15/h2-8,10,12H,9,11,13H2,1H3
InChIKeyWKXUDDJQGBPDOQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.12
Rot. Bonds5

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

8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 10379052) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID10379052
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cccn2c(CSCCc3ccccc3)cnc12
InChIInChI=1S/C17H18N2S/c1-14-6-5-10-19-16(12-18-17(14)19)13-20-11-9-15-7-3-2-4-8-15/h2-8,10,12H,9,11,13H2,1H3
InChIKeyWKXUDDJQGBPDOQ-UHFFFAOYSA-N
XLogP4.12
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 10379052) is 8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is Cc1cccn2c(CSCCc3ccccc3)cnc12.
What is the InChIKey of 8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is WKXUDDJQGBPDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-14-6-5-10-19-16(12-18-17(14)19)13-20-11-9-15-7-3-2-4-8-15/h2-8,10,12H,9,11,13H2,1H3.
What are the key properties of 8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 282.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 10379052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).