1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one

C13H18N2O3S — CID 115663107

IUPAC1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one
SMILESCCn1c(=O)n(CCS(=O)(=O)CC)c2ccccc21
InChIInChI=1S/C13H18N2O3S/c1-3-14-11-7-5-6-8-12(11)15(13(14)16)9-10-19(17,18)4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyQIQGCVJNYASVQU-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.26
Rot. Bonds5

About 1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one

1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one (PubChem CID 115663107) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one
PubChem CID115663107
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one
SMILESCCn1c(=O)n(CCS(=O)(=O)CC)c2ccccc21
InChIInChI=1S/C13H18N2O3S/c1-3-14-11-7-5-6-8-12(11)15(13(14)16)9-10-19(17,18)4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyQIQGCVJNYASVQU-UHFFFAOYSA-N
XLogP1.26
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one
CID 115591774
1-ethyl-3-(2-phenylsulfanylethyl)benzimidazol-2-one
CID 116621256
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
2-(3-ethyl-2-oxobenzimidazol-1-yl)acetaldehyde
CID 58710654
1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one
CID 116621288
1-ethyl-3-[3-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one
CID 56533669
3-ethyl-1-(2-sulfanylethyl)quinazoline-2,4-dione
CID 22507021
1-(2-aminobutyl)-3-ethylbenzimidazol-2-one
CID 82168070
phenyl 2-[6-(dimethylsulfamoyl)-3-ethyl-2-oxobenzimidazol-1-yl]ethanesulfonate
CID 30872740
3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione
CID 17132362
1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one
CID 79395758

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one (CID 115663107) is 1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one is CCn1c(=O)n(CCS(=O)(=O)CC)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one?
The InChIKey is QIQGCVJNYASVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-14-11-7-5-6-8-12(11)15(13(14)16)9-10-19(17,18)4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one?
1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one has a molecular weight of 282.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one is sourced from PubChem (CID 115663107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).