2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole

C11H12N2O2S — CID 67618457

IUPAC2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole
SMILESCS(=O)(=O)Cc1ccccc1-c1ncc[nH]1
InChIInChI=1S/C11H12N2O2S/c1-16(14,15)8-9-4-2-3-5-10(9)11-12-6-7-13-11/h2-7H,8H2,1H3,(H,12,13)
InChIKeyGECIJPLERRWJID-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.62
Rot. Bonds3

About 2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole

2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole (PubChem CID 67618457) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole
PubChem CID67618457
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole
SMILESCS(=O)(=O)Cc1ccccc1-c1ncc[nH]1
InChIInChI=1S/C11H12N2O2S/c1-16(14,15)8-9-4-2-3-5-10(9)11-12-6-7-13-11/h2-7H,8H2,1H3,(H,12,13)
InChIKeyGECIJPLERRWJID-UHFFFAOYSA-N
XLogP1.62
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole?
The IUPAC name of 2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole (CID 67618457) is 2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole.
What is the SMILES notation for 2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole?
The canonical SMILES for 2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole is CS(=O)(=O)Cc1ccccc1-c1ncc[nH]1.
What is the InChIKey of 2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole?
The InChIKey is GECIJPLERRWJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-16(14,15)8-9-4-2-3-5-10(9)11-12-6-7-13-11/h2-7H,8H2,1H3,(H,12,13).
What are the key properties of 2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole?
2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole has a molecular weight of 236.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfonylmethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 67618457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).