2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole

C16H12Cl2N2S — CID 69094456

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole
SMILESCSc1cnc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2S/c1-21-15-10-19-16(13-4-2-3-5-14(13)18)20(15)12-8-6-11(17)7-9-12/h2-10H,1H3
InChIKeyXLNPRWOCFSVWCK-UHFFFAOYSA-N
MW335.26 g/mol
LogP5.57
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole

2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole (PubChem CID 69094456) has the molecular formula C16H12Cl2N2S and a molecular weight of 335.26 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole
PubChem CID69094456
Molecular FormulaC16H12Cl2N2S
Molecular Weight335.26 g/mol
Exact Mass334.01
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole
SMILESCSc1cnc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2S/c1-21-15-10-19-16(13-4-2-3-5-14(13)18)20(15)12-8-6-11(17)7-9-12/h2-10H,1H3
InChIKeyXLNPRWOCFSVWCK-UHFFFAOYSA-N
XLogP5.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.26
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole (CID 69094456) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole is CSc1cnc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole?
The InChIKey is XLNPRWOCFSVWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2S/c1-21-15-10-19-16(13-4-2-3-5-14(13)18)20(15)12-8-6-11(17)7-9-12/h2-10H,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole has a molecular weight of 335.26 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole is sourced from PubChem (CID 69094456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).