6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine

C15H13ClN2S — CID 747971

IUPAC6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(SCc2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C15H13ClN2S/c1-11-2-5-14(6-3-11)19-10-13-9-18-8-12(16)4-7-15(18)17-13/h2-9H,10H2,1H3
InChIKeyKROYHUDRJMNMFD-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.59
Rot. Bonds3

About 6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine

6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 747971) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID747971
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(SCc2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C15H13ClN2S/c1-11-2-5-14(6-3-11)19-10-13-9-18-8-12(16)4-7-15(18)17-13/h2-9H,10H2,1H3
InChIKeyKROYHUDRJMNMFD-UHFFFAOYSA-N
XLogP4.59
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 747971) is 6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1ccc(SCc2cn3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is KROYHUDRJMNMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-11-2-5-14(6-3-11)19-10-13-9-18-8-12(16)4-7-15(18)17-13/h2-9H,10H2,1H3.
What are the key properties of 6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine?
6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 288.80 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 747971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).