2-methylsulfonyl-4,5-diphenyl-1H-imidazole

C16H14N2O2S — CID 2042750

IUPAC2-methylsulfonyl-4,5-diphenyl-1H-imidazole
SMILESCS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C16H14N2O2S/c1-21(19,20)16-17-14(12-8-4-2-5-9-12)15(18-16)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,18)
InChIKeyUHUUKYPTZNQXJH-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.15
Rot. Bonds3

About 2-methylsulfonyl-4,5-diphenyl-1H-imidazole

2-methylsulfonyl-4,5-diphenyl-1H-imidazole (PubChem CID 2042750) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-methylsulfonyl-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-methylsulfonyl-4,5-diphenyl-1H-imidazole
PubChem CID2042750
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-methylsulfonyl-4,5-diphenyl-1H-imidazole
SMILESCS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C16H14N2O2S/c1-21(19,20)16-17-14(12-8-4-2-5-9-12)15(18-16)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,18)
InChIKeyUHUUKYPTZNQXJH-UHFFFAOYSA-N
XLogP3.15
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-methylsulfonyl-4,5-diphenyl-1H-imidazole (CID 2042750) is 2-methylsulfonyl-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-methylsulfonyl-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-methylsulfonyl-4,5-diphenyl-1H-imidazole is CS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-methylsulfonyl-4,5-diphenyl-1H-imidazole?
The InChIKey is UHUUKYPTZNQXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-21(19,20)16-17-14(12-8-4-2-5-9-12)15(18-16)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,18).
What are the key properties of 2-methylsulfonyl-4,5-diphenyl-1H-imidazole?
2-methylsulfonyl-4,5-diphenyl-1H-imidazole has a molecular weight of 298.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 2042750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).