5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one

C15H30N2O — CID 83246616

IUPAC5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one
SMILESCCCCCCC(C)N1CNC(CC(C)C)C1=O
InChIInChI=1S/C15H30N2O/c1-5-6-7-8-9-13(4)17-11-16-14(15(17)18)10-12(2)3/h12-14,16H,5-11H2,1-4H3
InChIKeyKQGNDRSPNKQXMD-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.15
Rot. Bonds8

About 5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one

5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one (PubChem CID 83246616) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one
PubChem CID83246616
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one
SMILESCCCCCCC(C)N1CNC(CC(C)C)C1=O
InChIInChI=1S/C15H30N2O/c1-5-6-7-8-9-13(4)17-11-16-14(15(17)18)10-12(2)3/h12-14,16H,5-11H2,1-4H3
InChIKeyKQGNDRSPNKQXMD-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one
CID 83254098
3-heptan-2-yl-5-propylimidazolidin-4-one
CID 83253979
3-octan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83247931
3-heptan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83252650
3-(1-cyclopropylpropan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83257317
5-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242760
3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83270786
5-benzyl-3-hexan-2-ylimidazolidin-4-one
CID 83254120
3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 104830706
3-[4-(dimethylamino)butan-2-yl]-5-ethylimidazolidin-4-one
CID 83248683
3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83258633
3-(1-cyclopropylpropan-2-yl)-5-propylimidazolidin-4-one
CID 83257228

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one?
The IUPAC name of 5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one (CID 83246616) is 5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one is CCCCCCC(C)N1CNC(CC(C)C)C1=O.
What is the InChIKey of 5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one?
The InChIKey is KQGNDRSPNKQXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-6-7-8-9-13(4)17-11-16-14(15(17)18)10-12(2)3/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one?
5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one has a molecular weight of 254.42 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83246616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).