1-dodecylimidazolidin-2-one

C15H30N2O — CID 13052967

IUPAC1-dodecylimidazolidin-2-one
SMILESCCCCCCCCCCCCN1CCNC1=O
InChIInChI=1S/C15H30N2O/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15(17)18/h2-14H2,1H3,(H,16,18)
InChIKeyJLROHKGOOKAOGR-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.93
Rot. Bonds11

About 1-dodecylimidazolidin-2-one

1-dodecylimidazolidin-2-one (PubChem CID 13052967) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-dodecylimidazolidin-2-one.

Molecular Properties

Compound Name1-dodecylimidazolidin-2-one
PubChem CID13052967
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-dodecylimidazolidin-2-one
SMILESCCCCCCCCCCCCN1CCNC1=O
InChIInChI=1S/C15H30N2O/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15(17)18/h2-14H2,1H3,(H,16,18)
InChIKeyJLROHKGOOKAOGR-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-dodecylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-dodecylimidazolidin-2-one?
The IUPAC name of 1-dodecylimidazolidin-2-one (CID 13052967) is 1-dodecylimidazolidin-2-one.
What is the SMILES notation for 1-dodecylimidazolidin-2-one?
The canonical SMILES for 1-dodecylimidazolidin-2-one is CCCCCCCCCCCCN1CCNC1=O.
What is the InChIKey of 1-dodecylimidazolidin-2-one?
The InChIKey is JLROHKGOOKAOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15(17)18/h2-14H2,1H3,(H,16,18).
What are the key properties of 1-dodecylimidazolidin-2-one?
1-dodecylimidazolidin-2-one has a molecular weight of 254.42 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylimidazolidin-2-one is sourced from PubChem (CID 13052967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).