1,5-dipentylimidazolidin-2-one

C13H26N2O — CID 68722136

IUPAC1,5-dipentylimidazolidin-2-one
SMILESCCCCCC1CNC(=O)N1CCCCC
InChIInChI=1S/C13H26N2O/c1-3-5-7-9-12-11-14-13(16)15(12)10-8-6-4-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyCBZGNLQVBZFEOI-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.15
Rot. Bonds8

About 1,5-dipentylimidazolidin-2-one

1,5-dipentylimidazolidin-2-one (PubChem CID 68722136) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,5-dipentylimidazolidin-2-one.

Molecular Properties

Compound Name1,5-dipentylimidazolidin-2-one
PubChem CID68722136
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1,5-dipentylimidazolidin-2-one
SMILESCCCCCC1CNC(=O)N1CCCCC
InChIInChI=1S/C13H26N2O/c1-3-5-7-9-12-11-14-13(16)15(12)10-8-6-4-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyCBZGNLQVBZFEOI-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
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 1,5-dipentylimidazolidin-2-one?
The IUPAC name of 1,5-dipentylimidazolidin-2-one (CID 68722136) is 1,5-dipentylimidazolidin-2-one.
What is the SMILES notation for 1,5-dipentylimidazolidin-2-one?
The canonical SMILES for 1,5-dipentylimidazolidin-2-one is CCCCCC1CNC(=O)N1CCCCC.
What is the InChIKey of 1,5-dipentylimidazolidin-2-one?
The InChIKey is CBZGNLQVBZFEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-7-9-12-11-14-13(16)15(12)10-8-6-4-2/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of 1,5-dipentylimidazolidin-2-one?
1,5-dipentylimidazolidin-2-one has a molecular weight of 226.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dipentylimidazolidin-2-one is sourced from PubChem (CID 68722136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).