3-pentyl-2,5-dipropylimidazolidin-4-one

C14H28N2O — CID 83250379

IUPAC3-pentyl-2,5-dipropylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(CCC)NC1CCC
InChIInChI=1S/C14H28N2O/c1-4-7-8-11-16-13(10-6-3)15-12(9-5-2)14(16)17/h12-13,15H,4-11H2,1-3H3
InChIKeyAFTZFHMKJDHXOU-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.90
Rot. Bonds8

About 3-pentyl-2,5-dipropylimidazolidin-4-one

3-pentyl-2,5-dipropylimidazolidin-4-one (PubChem CID 83250379) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-pentyl-2,5-dipropylimidazolidin-4-one.

Molecular Properties

Compound Name3-pentyl-2,5-dipropylimidazolidin-4-one
PubChem CID83250379
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-pentyl-2,5-dipropylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(CCC)NC1CCC
InChIInChI=1S/C14H28N2O/c1-4-7-8-11-16-13(10-6-3)15-12(9-5-2)14(16)17/h12-13,15H,4-11H2,1-3H3
InChIKeyAFTZFHMKJDHXOU-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.90
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-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one
CID 83243884
5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one
CID 106011093
3-[3-[methyl(propan-2-yl)amino]propyl]-2,5-dipropylimidazolidin-4-one
CID 106053081
5-butyl-3-(3-cyclopentylpropyl)-2-propylimidazolidin-4-one
CID 106011295
2-ethyl-3-(3-methylsulfonylpropyl)-5-propylimidazolidin-4-one
CID 83245289
3-(2-piperidin-1-ylethyl)-2,5-dipropylimidazolidin-4-one
CID 83244837
2-ethyl-5-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260834
3-(2-methylpropyl)-2,5-dipropylimidazolidin-4-one
CID 83242304
5-butyl-2-propyl-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83269331
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
5-butyl-3-(2-cyclopentyloxyethyl)-2-propylimidazolidin-4-one
CID 83264500
5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260459

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-2,5-dipropylimidazolidin-4-one?
The IUPAC name of 3-pentyl-2,5-dipropylimidazolidin-4-one (CID 83250379) is 3-pentyl-2,5-dipropylimidazolidin-4-one.
What is the SMILES notation for 3-pentyl-2,5-dipropylimidazolidin-4-one?
The canonical SMILES for 3-pentyl-2,5-dipropylimidazolidin-4-one is CCCCCN1C(=O)C(CCC)NC1CCC.
What is the InChIKey of 3-pentyl-2,5-dipropylimidazolidin-4-one?
The InChIKey is AFTZFHMKJDHXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-7-8-11-16-13(10-6-3)15-12(9-5-2)14(16)17/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3-pentyl-2,5-dipropylimidazolidin-4-one?
3-pentyl-2,5-dipropylimidazolidin-4-one has a molecular weight of 240.39 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-2,5-dipropylimidazolidin-4-one is sourced from PubChem (CID 83250379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).