2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole

C16H15ClN2O2S — CID 118710094

IUPAC2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole
SMILESCS(=O)(=O)c1ccc(N2CCN=C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-22(20,21)15-8-6-14(7-9-15)19-11-10-18-16(19)12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3
InChIKeySZNZPUJIPGZIKW-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.01
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole

2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole (PubChem CID 118710094) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole
PubChem CID118710094
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole
SMILESCS(=O)(=O)c1ccc(N2CCN=C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-22(20,21)15-8-6-14(7-9-15)19-11-10-18-16(19)12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3
InChIKeySZNZPUJIPGZIKW-UHFFFAOYSA-N
XLogP3.01
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.01
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)-4,5-dihydroimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole (CID 118710094) is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole is CS(=O)(=O)c1ccc(N2CCN=C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole?
The InChIKey is SZNZPUJIPGZIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-22(20,21)15-8-6-14(7-9-15)19-11-10-18-16(19)12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole?
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole has a molecular weight of 334.83 g/mol, XLogP of 3.01, 3 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)-4,5-dihydroimidazole is sourced from PubChem (CID 118710094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).