3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one

C12H22N2O — CID 83264832

IUPAC3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one
SMILESCC1NCN(C2CCC(C)C(C)C2)C1=O
InChIInChI=1S/C12H22N2O/c1-8-4-5-11(6-9(8)2)14-7-13-10(3)12(14)15/h8-11,13H,4-7H2,1-3H3
InChIKeyVEZPFADTFIJADK-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.59
Rot. Bonds1

About 3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one

3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one (PubChem CID 83264832) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one
PubChem CID83264832
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one
SMILESCC1NCN(C2CCC(C)C(C)C2)C1=O
InChIInChI=1S/C12H22N2O/c1-8-4-5-11(6-9(8)2)14-7-13-10(3)12(14)15/h8-11,13H,4-7H2,1-3H3
InChIKeyVEZPFADTFIJADK-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83262674
3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one
CID 83262843
3-cyclohexyl-5-methylimidazolidin-4-one
CID 83242864
3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one
CID 83243464
5-methyl-3-(1-methylpiperidin-4-yl)imidazolidin-4-one
CID 83244069
5-methyl-3-(oxan-4-yl)imidazolidin-4-one
CID 83244206
5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one
CID 83263637
3-(3,3-dimethylcyclopentyl)-5-methylimidazolidin-4-one
CID 114552415
1-(3,4-dimethylcyclohexyl)imidazolidin-2-one
CID 115370706
1-(3,4-dimethylcyclohexyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64973434
(5S)-3,5-dimethylimidazolidin-4-one
CID 12794136
3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione
CID 64973689

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one (CID 83264832) is 3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one is CC1NCN(C2CCC(C)C(C)C2)C1=O.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one?
The InChIKey is VEZPFADTFIJADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8-4-5-11(6-9(8)2)14-7-13-10(3)12(14)15/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one?
3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one has a molecular weight of 210.32 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83264832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).