1-(4-methylsulfonylphenyl)-2-phenylimidazole

C16H14N2O2S — CID 10804032

IUPAC1-(4-methylsulfonylphenyl)-2-phenylimidazole
SMILESCS(=O)(=O)c1ccc(-n2ccnc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2O2S/c1-21(19,20)15-9-7-14(8-10-15)18-12-11-17-16(18)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyPBEBCENHQOUFJZ-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.94
Rot. Bonds3

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

1-(4-methylsulfonylphenyl)-2-phenylimidazole (PubChem CID 10804032) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-phenylimidazole.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-phenylimidazole
PubChem CID10804032
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name1-(4-methylsulfonylphenyl)-2-phenylimidazole
SMILESCS(=O)(=O)c1ccc(-n2ccnc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2O2S/c1-21(19,20)15-9-7-14(8-10-15)18-12-11-17-16(18)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyPBEBCENHQOUFJZ-UHFFFAOYSA-N
XLogP2.94
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-2-phenylimidazole?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-phenylimidazole (CID 10804032) is 1-(4-methylsulfonylphenyl)-2-phenylimidazole.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-phenylimidazole?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-phenylimidazole is CS(=O)(=O)c1ccc(-n2ccnc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-phenylimidazole?
The InChIKey is PBEBCENHQOUFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-21(19,20)15-9-7-14(8-10-15)18-12-11-17-16(18)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-phenylimidazole?
1-(4-methylsulfonylphenyl)-2-phenylimidazole has a molecular weight of 298.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-phenylimidazole is sourced from PubChem (CID 10804032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).