1-hexylimidazolidin-2-one

C9H18N2O — CID 20636606

IUPAC1-hexylimidazolidin-2-one
SMILESCCCCCCN1CCNC1=O
InChIInChI=1S/C9H18N2O/c1-2-3-4-5-7-11-8-6-10-9(11)12/h2-8H2,1H3,(H,10,12)
InChIKeyNSDCVEJKQQEAOI-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.59
Rot. Bonds5

About 1-hexylimidazolidin-2-one

1-hexylimidazolidin-2-one (PubChem CID 20636606) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-hexylimidazolidin-2-one.

Molecular Properties

Compound Name1-hexylimidazolidin-2-one
PubChem CID20636606
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-hexylimidazolidin-2-one
SMILESCCCCCCN1CCNC1=O
InChIInChI=1S/C9H18N2O/c1-2-3-4-5-7-11-8-6-10-9(11)12/h2-8H2,1H3,(H,10,12)
InChIKeyNSDCVEJKQQEAOI-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.59
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-hexylimidazolidin-2-one?
The IUPAC name of 1-hexylimidazolidin-2-one (CID 20636606) is 1-hexylimidazolidin-2-one.
What is the SMILES notation for 1-hexylimidazolidin-2-one?
The canonical SMILES for 1-hexylimidazolidin-2-one is CCCCCCN1CCNC1=O.
What is the InChIKey of 1-hexylimidazolidin-2-one?
The InChIKey is NSDCVEJKQQEAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-4-5-7-11-8-6-10-9(11)12/h2-8H2,1H3,(H,10,12).
What are the key properties of 1-hexylimidazolidin-2-one?
1-hexylimidazolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylimidazolidin-2-one is sourced from PubChem (CID 20636606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).