1,3-dihexylimidazolidin-2-one

C15H30N2O — CID 15790271

IUPAC1,3-dihexylimidazolidin-2-one
SMILESCCCCCCN1CCN(CCCCCC)C1=O
InChIInChI=1S/C15H30N2O/c1-3-5-7-9-11-16-13-14-17(15(16)18)12-10-8-6-4-2/h3-14H2,1-2H3
InChIKeyDXEFPLCETNJQMI-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.88
Rot. Bonds10

About 1,3-dihexylimidazolidin-2-one

1,3-dihexylimidazolidin-2-one (PubChem CID 15790271) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1,3-dihexylimidazolidin-2-one.

Molecular Properties

Compound Name1,3-dihexylimidazolidin-2-one
PubChem CID15790271
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1,3-dihexylimidazolidin-2-one
SMILESCCCCCCN1CCN(CCCCCC)C1=O
InChIInChI=1S/C15H30N2O/c1-3-5-7-9-11-16-13-14-17(15(16)18)12-10-8-6-4-2/h3-14H2,1-2H3
InChIKeyDXEFPLCETNJQMI-UHFFFAOYSA-N
XLogP3.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihexylimidazolidin-2-one?
The IUPAC name of 1,3-dihexylimidazolidin-2-one (CID 15790271) is 1,3-dihexylimidazolidin-2-one.
What is the SMILES notation for 1,3-dihexylimidazolidin-2-one?
The canonical SMILES for 1,3-dihexylimidazolidin-2-one is CCCCCCN1CCN(CCCCCC)C1=O.
What is the InChIKey of 1,3-dihexylimidazolidin-2-one?
The InChIKey is DXEFPLCETNJQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-5-7-9-11-16-13-14-17(15(16)18)12-10-8-6-4-2/h3-14H2,1-2H3.
What are the key properties of 1,3-dihexylimidazolidin-2-one?
1,3-dihexylimidazolidin-2-one has a molecular weight of 254.42 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihexylimidazolidin-2-one is sourced from PubChem (CID 15790271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).