2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one

C11H20N2O2 — CID 83255693

IUPAC2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
SMILESCC1NC(C)N(CC2CCCCO2)C1=O
InChIInChI=1S/C11H20N2O2/c1-8-11(14)13(9(2)12-8)7-10-5-3-4-6-15-10/h8-10,12H,3-7H2,1-2H3
InChIKeyOPGQOAWQGPURRT-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.72
Rot. Bonds2

About 2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one

2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one (PubChem CID 83255693) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
PubChem CID83255693
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
SMILESCC1NC(C)N(CC2CCCCO2)C1=O
InChIInChI=1S/C11H20N2O2/c1-8-11(14)13(9(2)12-8)7-10-5-3-4-6-15-10/h8-10,12H,3-7H2,1-2H3
InChIKeyOPGQOAWQGPURRT-UHFFFAOYSA-N
XLogP0.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-5-methyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83256823
2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256490
3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64874853
5-methyl-2-(2-methylpropyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one
CID 83251471
3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64886563
2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one
CID 83245722
3-[(4-ethylcyclohexyl)methyl]-2,5-dimethylimidazolidin-4-one
CID 83251966
3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
CID 103601172
2-ethyl-5-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255692
2-cyclopentyl-3-(oxolan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83251558
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83256573

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one (CID 83255693) is 2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one is CC1NC(C)N(CC2CCCCO2)C1=O.
What is the InChIKey of 2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one?
The InChIKey is OPGQOAWQGPURRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-11(14)13(9(2)12-8)7-10-5-3-4-6-15-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one?
2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one has a molecular weight of 212.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83255693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).