5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one

C16H32N2O — CID 83250722

IUPAC5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(C(C)CC)NC1CC(C)C
InChIInChI=1S/C16H32N2O/c1-6-8-9-10-18-14(11-12(3)4)17-15(16(18)19)13(5)7-2/h12-15,17H,6-11H2,1-5H3
InChIKeyLPYKGWNTIPAUNP-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.40
Rot. Bonds8

About 5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one

5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one (PubChem CID 83250722) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
PubChem CID83250722
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(C(C)CC)NC1CC(C)C
InChIInChI=1S/C16H32N2O/c1-6-8-9-10-18-14(11-12(3)4)17-15(16(18)19)13(5)7-2/h12-15,17H,6-11H2,1-5H3
InChIKeyLPYKGWNTIPAUNP-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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

5-butan-2-yl-3-(3-methylbutyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83237061
3-hexyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83265031
5-butan-2-yl-3-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83260681
5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260459
3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64903086
2-ethyl-3-pentyl-5-propan-2-ylimidazolidin-4-one
CID 83250549
5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one
CID 83247429
3-(4-methylpentyl)-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83254785
3-[4-(dimethylamino)butyl]-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83246406
2-ethyl-5-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260834
5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260297
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83245286

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one (CID 83250722) is 5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one is CCCCCN1C(=O)C(C(C)CC)NC1CC(C)C.
What is the InChIKey of 5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one?
The InChIKey is LPYKGWNTIPAUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-8-9-10-18-14(11-12(3)4)17-15(16(18)19)13(5)7-2/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one?
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one has a molecular weight of 268.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one is sourced from PubChem (CID 83250722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).