3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one

C13H26N2O — CID 83238523

IUPAC3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
SMILESCCCCN1C(=O)C(C(C)C)NC1C(C)C
InChIInChI=1S/C13H26N2O/c1-6-7-8-15-12(10(4)5)14-11(9(2)3)13(15)16/h9-12,14H,6-8H2,1-5H3
InChIKeyRONFJYVFEKKKOW-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.22
Rot. Bonds5

About 3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one

3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one (PubChem CID 83238523) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
PubChem CID83238523
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
SMILESCCCCN1C(=O)C(C(C)C)NC1C(C)C
InChIInChI=1S/C13H26N2O/c1-6-7-8-15-12(10(4)5)14-11(9(2)3)13(15)16/h9-12,14H,6-8H2,1-5H3
InChIKeyRONFJYVFEKKKOW-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83259998
3-decyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83270397
2-ethyl-3-pentyl-5-propan-2-ylimidazolidin-4-one
CID 83250549
5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83257737
3-(2,2-dimethylpropyl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83256296
5-butan-2-yl-2-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83249654
5-methyl-2-propan-2-yl-3-propylimidazolidin-4-one
CID 83243212
3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83236786
3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83237723
3-pentan-2-yl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238814
3-(5-methylhexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83260431
1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874575

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one?
The IUPAC name of 3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one (CID 83238523) is 3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one is CCCCN1C(=O)C(C(C)C)NC1C(C)C.
What is the InChIKey of 3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one?
The InChIKey is RONFJYVFEKKKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-7-8-15-12(10(4)5)14-11(9(2)3)13(15)16/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one?
3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83238523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).