6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine

C14H11ClN2S — CID 3586710

IUPAC6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CSc3ccccc3)cn2c1
InChIInChI=1S/C14H11ClN2S/c15-11-6-7-14-16-12(9-17(14)8-11)10-18-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyCRDFONUBVPHKSJ-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.28
Rot. Bonds3

About 6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine

6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 3586710) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID3586710
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CSc3ccccc3)cn2c1
InChIInChI=1S/C14H11ClN2S/c15-11-6-7-14-16-12(9-17(14)8-11)10-18-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyCRDFONUBVPHKSJ-UHFFFAOYSA-N
XLogP4.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 3586710) is 6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine is Clc1ccc2nc(CSc3ccccc3)cn2c1.
What is the InChIKey of 6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is CRDFONUBVPHKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-11-6-7-14-16-12(9-17(14)8-11)10-18-13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine?
6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 274.78 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 3586710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).