2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole

C22H17ClN2O2S — CID 10294921

IUPAC2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN2O2S/c1-28(26,27)20-13-11-19(12-14-20)25-15-21(16-5-3-2-4-6-16)24-22(25)17-7-9-18(23)10-8-17/h2-15H,1H3
InChIKeyZZBKFGAUXXMYNA-UHFFFAOYSA-N
MW408.91 g/mol
LogP5.26
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole

2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole (PubChem CID 10294921) has the molecular formula C22H17ClN2O2S and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole
PubChem CID10294921
Molecular FormulaC22H17ClN2O2S
Molecular Weight408.91 g/mol
Exact Mass408.07
IUPAC Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN2O2S/c1-28(26,27)20-13-11-19(12-14-20)25-15-21(16-5-3-2-4-6-16)24-22(25)17-7-9-18(23)10-8-17/h2-15H,1H3
InChIKeyZZBKFGAUXXMYNA-UHFFFAOYSA-N
XLogP5.26
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.91
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole (CID 10294921) is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole is CS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole?
The InChIKey is ZZBKFGAUXXMYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2S/c1-28(26,27)20-13-11-19(12-14-20)25-15-21(16-5-3-2-4-6-16)24-22(25)17-7-9-18(23)10-8-17/h2-15H,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole?
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole has a molecular weight of 408.91 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-phenylimidazole is sourced from PubChem (CID 10294921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).