3-(4-methylsulfonylphenyl)-1H-imidazol-2-one

C10H10N2O3S — CID 103125149

IUPAC3-(4-methylsulfonylphenyl)-1H-imidazol-2-one
SMILESCS(=O)(=O)c1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C10H10N2O3S/c1-16(14,15)9-4-2-8(3-5-9)12-7-6-11-10(12)13/h2-7H,1H3,(H,11,13)
InChIKeyQKQZWBPXNZFBMM-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.57
Rot. Bonds2

About 3-(4-methylsulfonylphenyl)-1H-imidazol-2-one

3-(4-methylsulfonylphenyl)-1H-imidazol-2-one (PubChem CID 103125149) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-1H-imidazol-2-one
PubChem CID103125149
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name3-(4-methylsulfonylphenyl)-1H-imidazol-2-one
SMILESCS(=O)(=O)c1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C10H10N2O3S/c1-16(14,15)9-4-2-8(3-5-9)12-7-6-11-10(12)13/h2-7H,1H3,(H,11,13)
InChIKeyQKQZWBPXNZFBMM-UHFFFAOYSA-N
XLogP0.57
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-1H-imidazol-2-one
CID 14927424
3-[(4-methylsulfonylphenyl)methyl]-1H-imidazol-2-one
CID 103125433
3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one
CID 10846951
3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one
CID 130498049
3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one
CID 62741379
N-[3-(methylamino)phenyl]sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide
CID 167875385
2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
CID 62637310
3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one
CID 60934772
3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one
CID 64752407
3-(4-bromo-3-fluorophenyl)-1H-imidazol-2-one
CID 103124099
2-methoxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]acetamide
CID 47265723
3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one
CID 62536822

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(4-methylsulfonylphenyl)-1H-imidazol-2-one (CID 103125149) is 3-(4-methylsulfonylphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-1H-imidazol-2-one is CS(=O)(=O)c1ccc(-n2cc[nH]c2=O)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-1H-imidazol-2-one?
The InChIKey is QKQZWBPXNZFBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-16(14,15)9-4-2-8(3-5-9)12-7-6-11-10(12)13/h2-7H,1H3,(H,11,13).
What are the key properties of 3-(4-methylsulfonylphenyl)-1H-imidazol-2-one?
3-(4-methylsulfonylphenyl)-1H-imidazol-2-one has a molecular weight of 238.27 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 103125149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).