5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one

C9H10N2O3S — CID 22745310

IUPAC5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one
SMILESCS(=O)(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H10N2O3S/c1-15(13,14)5-6-2-3-7-8(4-6)11-9(12)10-7/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyXPCBYLUJAJMYOB-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.40
Rot. Bonds2

About 5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one

5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 22745310) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID22745310
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one
SMILESCS(=O)(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H10N2O3S/c1-15(13,14)5-6-2-3-7-8(4-6)11-9(12)10-7/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyXPCBYLUJAJMYOB-UHFFFAOYSA-N
XLogP0.40
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
CID 22745222
5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 22745215
5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
CID 70140559
5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745192
5-[(4-aminophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116926027
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one
CID 116926363
1-(2-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791248
1,2-dimethyl-4-(methylsulfonylmethyl)benzene
CID 89331302
5-[(aminomethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115225769
5-(4-chlorobutyl)-1,3-dihydrobenzimidazol-2-one
CID 87983574
5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928496

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one (CID 22745310) is 5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one is CS(=O)(=O)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is XPCBYLUJAJMYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-15(13,14)5-6-2-3-7-8(4-6)11-9(12)10-7/h2-4H,5H2,1H3,(H2,10,11,12).
What are the key properties of 5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one?
5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 226.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 22745310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).