4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one

C10H10N2O3S — CID 116879725

IUPAC4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one
SMILESCS(=O)(=O)c1ccc(-c2c[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C10H10N2O3S/c1-16(14,15)8-4-2-7(3-5-8)9-6-11-10(13)12-9/h2-6H,1H3,(H2,11,12,13)
InChIKeyDQMDGYSLBYQCKF-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.77
Rot. Bonds2

About 4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one

4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one (PubChem CID 116879725) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one
PubChem CID116879725
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one
SMILESCS(=O)(=O)c1ccc(-c2c[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C10H10N2O3S/c1-16(14,15)8-4-2-7(3-5-8)9-6-11-10(13)12-9/h2-6H,1H3,(H2,11,12,13)
InChIKeyDQMDGYSLBYQCKF-UHFFFAOYSA-N
XLogP0.77
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylsulfonylphenyl)-1H-pyridin-2-one
CID 53218127
5-(4-methylsulfonylphenyl)-3-[3-[5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529599
5-methyl-2-(4-methylsulfonylphenyl)-1H-indole
CID 19694484
5-chloro-2-(4-methylsulfonylphenyl)-1H-indole
CID 19694477
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole
CID 57260118
cyclohexene;1-methylsulfonyl-4-phenylbenzene
CID 68567759
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
dichloromethane;1-methyl-4-methylsulfonylbenzene
CID 175095378
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
3-(4-methylsulfonylphenyl)-1H-indazole
CID 72895811
2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole
CID 70342342

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one (CID 116879725) is 4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one is CS(=O)(=O)c1ccc(-c2c[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one?
The InChIKey is DQMDGYSLBYQCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-16(14,15)8-4-2-7(3-5-8)9-6-11-10(13)12-9/h2-6H,1H3,(H2,11,12,13).
What are the key properties of 4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one?
4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one has a molecular weight of 238.27 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 116879725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).