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

C17H17ClN2O2S — CID 58661838

IUPAC2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole
SMILESCC1CN(c2ccc(S(C)(=O)=O)cc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H17ClN2O2S/c1-12-11-20(15-7-9-16(10-8-15)23(2,21)22)17(19-12)13-3-5-14(18)6-4-13/h3-10,12H,11H2,1-2H3
InChIKeyKKWZWUIGSWGVBP-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.40
Rot. Bonds3

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

2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole (PubChem CID 58661838) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole
PubChem CID58661838
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole
SMILESCC1CN(c2ccc(S(C)(=O)=O)cc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H17ClN2O2S/c1-12-11-20(15-7-9-16(10-8-15)23(2,21)22)17(19-12)13-3-5-14(18)6-4-13/h3-10,12H,11H2,1-2H3
InChIKeyKKWZWUIGSWGVBP-UHFFFAOYSA-N
XLogP3.40
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole (CID 58661838) is 2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole is CC1CN(c2ccc(S(C)(=O)=O)cc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole?
The InChIKey is KKWZWUIGSWGVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-12-11-20(15-7-9-16(10-8-15)23(2,21)22)17(19-12)13-3-5-14(18)6-4-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole?
2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole has a molecular weight of 348.86 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole is sourced from PubChem (CID 58661838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).