4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole

C22H16Cl2N2O2S — CID 22148960

IUPAC4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3cccc(Cl)c3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2N2O2S/c1-29(27,28)20-11-9-19(10-12-20)26-14-21(16-3-2-4-18(24)13-16)25-22(26)15-5-7-17(23)8-6-15/h2-14H,1H3
InChIKeyDPFIYGWFQJUGMG-UHFFFAOYSA-N
MW443.36 g/mol
LogP5.92
Rot. Bonds4

About 4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole

4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole (PubChem CID 22148960) has the molecular formula C22H16Cl2N2O2S and a molecular weight of 443.36 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole
PubChem CID22148960
Molecular FormulaC22H16Cl2N2O2S
Molecular Weight443.36 g/mol
Exact Mass442.03
IUPAC Name4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3cccc(Cl)c3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2N2O2S/c1-29(27,28)20-11-9-19(10-12-20)26-14-21(16-3-2-4-18(24)13-16)25-22(26)15-5-7-17(23)8-6-15/h2-14H,1H3
InChIKeyDPFIYGWFQJUGMG-UHFFFAOYSA-N
XLogP5.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.36
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole (CID 22148960) is 4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole is CS(=O)(=O)c1ccc(-n2cc(-c3cccc(Cl)c3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole?
The InChIKey is DPFIYGWFQJUGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2S/c1-29(27,28)20-11-9-19(10-12-20)26-14-21(16-3-2-4-18(24)13-16)25-22(26)15-5-7-17(23)8-6-15/h2-14H,1H3.
What are the key properties of 4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole?
4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole has a molecular weight of 443.36 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 22148960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).