5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one

C14H28N2O — CID 83259137

IUPAC5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CC(C)C(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-7-10(4)13-14(17)16(12(6)15-13)8-11(5)9(2)3/h9-13,15H,7-8H2,1-6H3
InChIKeyHSSXKWGCHURZMB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.47
Rot. Bonds5

About 5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one

5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one (PubChem CID 83259137) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
PubChem CID83259137
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CC(C)C(C)C)C1=O
InChIInChI=1S/C14H28N2O/c1-7-10(4)13-14(17)16(12(6)15-13)8-11(5)9(2)3/h9-13,15H,7-8H2,1-6H3
InChIKeyHSSXKWGCHURZMB-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-3-(2,3-dimethylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 83259293
3-butan-2-yl-1-(2,3-dimethylbutyl)-6-methylpiperazine-2,5-dione
CID 64973180
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylcyclopropyl)methyl]imidazolidin-4-one
CID 114115041
5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one
CID 83239751
5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253941
5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259869
5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250695
5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264986
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83255699
5-butan-2-yl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83253008
5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83250080
5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one
CID 83249576

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one (CID 83259137) is 5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one is CCC(C)C1NC(C)N(CC(C)C(C)C)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one?
The InChIKey is HSSXKWGCHURZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-7-10(4)13-14(17)16(12(6)15-13)8-11(5)9(2)3/h9-13,15H,7-8H2,1-6H3.
What are the key properties of 5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one?
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one has a molecular weight of 240.39 g/mol, XLogP of 2.47, 5 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-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 83259137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).