2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine

C14H11ClN2S — CID 747966

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESClc1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C14H11ClN2S/c15-11-4-6-13(7-5-11)18-10-12-9-17-8-2-1-3-14(17)16-12/h1-9H,10H2
InChIKeyPIRPQJDQZWBMJH-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.28
Rot. Bonds3

About 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine

2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 747966) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID747966
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESClc1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C14H11ClN2S/c15-11-4-6-13(7-5-11)18-10-12-9-17-8-2-1-3-14(17)16-12/h1-9H,10H2
InChIKeyPIRPQJDQZWBMJH-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 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 747966) is 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine is Clc1ccc(SCc2cn3ccccc3n2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is PIRPQJDQZWBMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-11-4-6-13(7-5-11)18-10-12-9-17-8-2-1-3-14(17)16-12/h1-9H,10H2.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[(4-chlorophenyl)sulfanylmethyl]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 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 747966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).