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

C16H32N2O — CID 83259998

IUPAC3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one
SMILESCC(C)CCCCN1C(=O)C(C(C)C)NC1C(C)C
InChIInChI=1S/C16H32N2O/c1-11(2)9-7-8-10-18-15(13(5)6)17-14(12(3)4)16(18)19/h11-15,17H,7-10H2,1-6H3
InChIKeyAIEAJCVCVYZFGC-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.25
Rot. Bonds7

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

3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one (PubChem CID 83259998) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one
PubChem CID83259998
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one
SMILESCC(C)CCCCN1C(=O)C(C(C)C)NC1C(C)C
InChIInChI=1S/C16H32N2O/c1-11(2)9-7-8-10-18-15(13(5)6)17-14(12(3)4)16(18)19/h11-15,17H,7-10H2,1-6H3
InChIKeyAIEAJCVCVYZFGC-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238523
3-(5-methylhexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83260431
3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 107819269
2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one
CID 83269160
3-(4-methylpentyl)-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83254785
6-methyl-1-(7-methyloctyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107818513
3-(2,2-dimethylpropyl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83256296
3-decyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83270397
5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83257737
2-ethyl-3-pentyl-5-propan-2-ylimidazolidin-4-one
CID 83250549
5-butan-2-yl-2-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83249654
3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83238566

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one?
The IUPAC name of 3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one (CID 83259998) is 3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one is CC(C)CCCCN1C(=O)C(C(C)C)NC1C(C)C.
What is the InChIKey of 3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one?
The InChIKey is AIEAJCVCVYZFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-11(2)9-7-8-10-18-15(13(5)6)17-14(12(3)4)16(18)19/h11-15,17H,7-10H2,1-6H3.
What are the key properties of 3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one?
3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one has a molecular weight of 268.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83259998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).