5-methylsulfonyl-2-phenyl-1H-imidazole

C10H10N2O2S — CID 67647458

IUPAC5-methylsulfonyl-2-phenyl-1H-imidazole
SMILESCS(=O)(=O)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H10N2O2S/c1-15(13,14)9-7-11-10(12-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
InChIKeyXZKZVRBGYLBZLA-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.48
Rot. Bonds2

About 5-methylsulfonyl-2-phenyl-1H-imidazole

5-methylsulfonyl-2-phenyl-1H-imidazole (PubChem CID 67647458) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-methylsulfonyl-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-methylsulfonyl-2-phenyl-1H-imidazole
PubChem CID67647458
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-methylsulfonyl-2-phenyl-1H-imidazole
SMILESCS(=O)(=O)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H10N2O2S/c1-15(13,14)9-7-11-10(12-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
InChIKeyXZKZVRBGYLBZLA-UHFFFAOYSA-N
XLogP1.48
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-phenyl-1H-imidazole?
The IUPAC name of 5-methylsulfonyl-2-phenyl-1H-imidazole (CID 67647458) is 5-methylsulfonyl-2-phenyl-1H-imidazole.
What is the SMILES notation for 5-methylsulfonyl-2-phenyl-1H-imidazole?
The canonical SMILES for 5-methylsulfonyl-2-phenyl-1H-imidazole is CS(=O)(=O)c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 5-methylsulfonyl-2-phenyl-1H-imidazole?
The InChIKey is XZKZVRBGYLBZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-15(13,14)9-7-11-10(12-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12).
What are the key properties of 5-methylsulfonyl-2-phenyl-1H-imidazole?
5-methylsulfonyl-2-phenyl-1H-imidazole has a molecular weight of 222.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-phenyl-1H-imidazole is sourced from PubChem (CID 67647458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).