5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one

C16H32N2O — CID 83243202

IUPAC5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
SMILESCCCCC1NC(CC(C)C)N(C(CC)CC)C1=O
InChIInChI=1S/C16H32N2O/c1-6-9-10-14-16(19)18(13(7-2)8-3)15(17-14)11-12(4)5/h12-15,17H,6-11H2,1-5H3
InChIKeyZBJUOUDWHBQJAA-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.54
Rot. Bonds8

About 5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one

5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one (PubChem CID 83243202) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
PubChem CID83243202
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
SMILESCCCCC1NC(CC(C)C)N(C(CC)CC)C1=O
InChIInChI=1S/C16H32N2O/c1-6-9-10-14-16(19)18(13(7-2)8-3)15(17-14)11-12(4)5/h12-15,17H,6-11H2,1-5H3
InChIKeyZBJUOUDWHBQJAA-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropyl)-3-pentan-3-yl-5-propylimidazolidin-4-one
CID 83242841
2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one
CID 83248176
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83264410
3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83262701
5-butyl-3-(2-methylpentan-3-yl)-2-propylimidazolidin-4-one
CID 83245310
5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one
CID 104830708
5-butyl-3-(2-cyclopentylethyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83246039
5-ethyl-3-(3-methylpentan-2-yl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83246049
5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83246045
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83245916
3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83247146

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one (CID 83243202) is 5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one is CCCCC1NC(CC(C)C)N(C(CC)CC)C1=O.
What is the InChIKey of 5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one?
The InChIKey is ZBJUOUDWHBQJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-9-10-14-16(19)18(13(7-2)8-3)15(17-14)11-12(4)5/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one?
5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one has a molecular weight of 268.44 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one is sourced from PubChem (CID 83243202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).