5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one

C11H22N2O — CID 83260057

IUPAC5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)CC)C(=O)N1C
InChIInChI=1S/C11H22N2O/c1-5-7-9-12-10(8(3)6-2)11(14)13(9)4/h8-10,12H,5-7H2,1-4H3
InChIKeyFDFQDLRDLUICAB-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.59
Rot. Bonds4

About 5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one

5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one (PubChem CID 83260057) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one
PubChem CID83260057
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)CC)C(=O)N1C
InChIInChI=1S/C11H22N2O/c1-5-7-9-12-10(8(3)6-2)11(14)13(9)4/h8-10,12H,5-7H2,1-4H3
InChIKeyFDFQDLRDLUICAB-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-3-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83260681
5-butan-2-yl-3-pentan-3-yl-2-propylimidazolidin-4-one
CID 83241971
5-butan-2-yl-3-[2-(dimethylamino)ethyl]-2-propylimidazolidin-4-one
CID 83250833
5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one
CID 83262835
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propylimidazolidin-4-one
CID 83263112
5-butan-2-yl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylimidazolidin-4-one
CID 83253763
5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one
CID 83247429
5-butan-2-yl-3-(2-ethylcyclopropyl)-2-propylimidazolidin-4-one
CID 114109870
5-butan-2-yl-3-[(2-methylcyclopropyl)methyl]-2-propylimidazolidin-4-one
CID 113464306
5-butan-2-yl-3-(1-ethoxypropan-2-yl)-2-propylimidazolidin-4-one
CID 83247716
5-butan-2-yl-3-(2-methoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 104767780
5-butan-2-yl-3-(1-cyclopropylbutan-2-yl)-2-propylimidazolidin-4-one
CID 83263556

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one (CID 83260057) is 5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one is CCCC1NC(C(C)CC)C(=O)N1C.
What is the InChIKey of 5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one?
The InChIKey is FDFQDLRDLUICAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-7-9-12-10(8(3)6-2)11(14)13(9)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one?
5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one has a molecular weight of 198.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83260057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).