4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one

C7H12N2O3S — CID 106952590

IUPAC4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(CS(C)(=O)=O)NC1=O
InChIInChI=1S/C7H12N2O3S/c1-3-5-7(10)9-6(8-5)4-13(2,11)12/h5H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyBDKVQLOAXQZOJM-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.66
Rot. Bonds3

About 4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one

4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106952590) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one
PubChem CID106952590
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(CS(C)(=O)=O)NC1=O
InChIInChI=1S/C7H12N2O3S/c1-3-5-7(10)9-6(8-5)4-13(2,11)12/h5H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyBDKVQLOAXQZOJM-UHFFFAOYSA-N
XLogP-0.66
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106952587
2-[(4-chlorophenyl)methyl]-4-ethyl-1,4-dihydroimidazol-5-one
CID 106952576
4-ethyl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one
CID 106952692
4-ethyl-2-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one
CID 106952766
4-ethyl-2-prop-1-en-2-yl-1,4-dihydroimidazol-5-one
CID 163837151
4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one
CID 106952774
2-(2-ethoxybutan-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one
CID 106952604
2-(cyclopropylmethyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952933
4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one
CID 106952715
2-(4-bromothiophen-2-yl)-4-ethyl-1,4-dihydroimidazol-5-one
CID 106952623
4-ethyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroimidazol-5-one
CID 106952625
2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952956

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one (CID 106952590) is 4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one is CCC1N=C(CS(C)(=O)=O)NC1=O.
What is the InChIKey of 4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is BDKVQLOAXQZOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-3-5-7(10)9-6(8-5)4-13(2,11)12/h5H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one?
4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 204.25 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).