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

C9H10N2O2S — CID 22745192

IUPAC5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one
SMILESCS(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H10N2O2S/c1-14(13)5-6-2-3-7-8(4-6)11-9(12)10-7/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyNKJCXDKYVRAIBA-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.73
Rot. Bonds2

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

5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 22745192) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID22745192
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one
SMILESCS(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H10N2O2S/c1-14(13)5-6-2-3-7-8(4-6)11-9(12)10-7/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyNKJCXDKYVRAIBA-UHFFFAOYSA-N
XLogP0.73
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
CID 70140559
5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745310
(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
CID 22745182
N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
CID 22745222
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
5-[(4-aminophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116926027
5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one
CID 116926363
5-(4-chlorobutyl)-1,3-dihydrobenzimidazol-2-one
CID 87983574
5-[(aminomethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115225769
5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 82500602
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one (CID 22745192) is 5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one is CS(=O)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NKJCXDKYVRAIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-14(13)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-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one?
5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 210.26 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 22745192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).