5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one

C15H22N2O2S — CID 83250456

IUPAC5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2cccs2)N(CC2CCCO2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-3-15(2)14(18)17(10-11-6-4-8-19-11)13(16-15)12-7-5-9-20-12/h5,7,9,11,13,16H,3-4,6,8,10H2,1-2H3
InChIKeyVWACPPZMTYBHOE-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.53
Rot. Bonds4

About 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one

5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83250456) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83250456
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2cccs2)N(CC2CCCO2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-3-15(2)14(18)17(10-11-6-4-8-19-11)13(16-15)12-7-5-9-20-12/h5,7,9,11,13,16H,3-4,6,8,10H2,1-2H3
InChIKeyVWACPPZMTYBHOE-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83238689
3-cyclohexyl-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83242536
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83250968
3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83247866
5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 106291416
1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
CID 79505643
3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64887574
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 124742901
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 40919131
(2R)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 980850
6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247835
3-(cyclobutylmethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83244229

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one (CID 83250456) is 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one is CCC1(C)NC(c2cccs2)N(CC2CCCO2)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is VWACPPZMTYBHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-15(2)14(18)17(10-11-6-4-8-19-11)13(16-15)12-7-5-9-20-12/h5,7,9,11,13,16H,3-4,6,8,10H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 294.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83250456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).