2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine

C15H13ClN2S — CID 4564792

IUPAC2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CSCc3ccccc3)cn2c1
InChIInChI=1S/C15H13ClN2S/c16-13-6-7-15-17-14(9-18(15)8-13)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyLURIBFAGFFWGCY-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.42
Rot. Bonds4

About 2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine

2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine (PubChem CID 4564792) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine
PubChem CID4564792
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CSCc3ccccc3)cn2c1
InChIInChI=1S/C15H13ClN2S/c16-13-6-7-15-17-14(9-18(15)8-13)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyLURIBFAGFFWGCY-UHFFFAOYSA-N
XLogP4.42
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine (CID 4564792) is 2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine is Clc1ccc2nc(CSCc3ccccc3)cn2c1.
What is the InChIKey of 2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine?
The InChIKey is LURIBFAGFFWGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c16-13-6-7-15-17-14(9-18(15)8-13)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine?
2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine has a molecular weight of 288.80 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine is sourced from PubChem (CID 4564792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).