5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one

C18H34N2O — CID 83269555

IUPAC5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one
SMILESCCCCC1NC(CCC)N(C2CCCCC2(C)C)C1=O
InChIInChI=1S/C18H34N2O/c1-5-7-11-14-17(21)20(16(19-14)10-6-2)15-12-8-9-13-18(15,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeySHLUZNDONNMYKT-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.07
Rot. Bonds6

About 5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one

5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one (PubChem CID 83269555) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one
PubChem CID83269555
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one
SMILESCCCCC1NC(CCC)N(C2CCCCC2(C)C)C1=O
InChIInChI=1S/C18H34N2O/c1-5-7-11-14-17(21)20(16(19-14)10-6-2)15-12-8-9-13-18(15,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeySHLUZNDONNMYKT-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-3-cyclooctyl-2-propylimidazolidin-4-one
CID 83238137
6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270898
3-(2,2-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83258710
3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83271222
5-butyl-3-(3-ethylcyclohexyl)-2-propylimidazolidin-4-one
CID 83266721
6-(2,2-dimethylcyclopentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270591
3-(2,2-dimethylcyclopropyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83246068
5-butyl-3-(3-cyclopentylpropyl)-2-propylimidazolidin-4-one
CID 106011295
5-butyl-2-propyl-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83269331
5-butyl-2-ethyl-3-(4-methylcyclohexyl)imidazolidin-4-one
CID 83238921
3-(2,2-dimethylcyclopentyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83270665
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one
CID 83253643

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one (CID 83269555) is 5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one is CCCCC1NC(CCC)N(C2CCCCC2(C)C)C1=O.
What is the InChIKey of 5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one?
The InChIKey is SHLUZNDONNMYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-5-7-11-14-17(21)20(16(19-14)10-6-2)15-12-8-9-13-18(15,3)4/h14-16,19H,5-13H2,1-4H3.
What are the key properties of 5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one?
5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one has a molecular weight of 294.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 83269555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).