1-(dibutoxymethyl)imidazolidin-2-one

C12H24N2O3 — CID 91549045

IUPAC1-(dibutoxymethyl)imidazolidin-2-one
SMILESCCCCOC(OCCCC)N1CCNC1=O
InChIInChI=1S/C12H24N2O3/c1-3-5-9-16-12(17-10-6-4-2)14-8-7-13-11(14)15/h12H,3-10H2,1-2H3,(H,13,15)
InChIKeyLHNCAQIBUPKBFI-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.93
Rot. Bonds9

About 1-(dibutoxymethyl)imidazolidin-2-one

1-(dibutoxymethyl)imidazolidin-2-one (PubChem CID 91549045) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(dibutoxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(dibutoxymethyl)imidazolidin-2-one
PubChem CID91549045
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-(dibutoxymethyl)imidazolidin-2-one
SMILESCCCCOC(OCCCC)N1CCNC1=O
InChIInChI=1S/C12H24N2O3/c1-3-5-9-16-12(17-10-6-4-2)14-8-7-13-11(14)15/h12H,3-10H2,1-2H3,(H,13,15)
InChIKeyLHNCAQIBUPKBFI-UHFFFAOYSA-N
XLogP1.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dibutoxymethyl)imidazolidin-2-one?
The IUPAC name of 1-(dibutoxymethyl)imidazolidin-2-one (CID 91549045) is 1-(dibutoxymethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(dibutoxymethyl)imidazolidin-2-one?
The canonical SMILES for 1-(dibutoxymethyl)imidazolidin-2-one is CCCCOC(OCCCC)N1CCNC1=O.
What is the InChIKey of 1-(dibutoxymethyl)imidazolidin-2-one?
The InChIKey is LHNCAQIBUPKBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-5-9-16-12(17-10-6-4-2)14-8-7-13-11(14)15/h12H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 1-(dibutoxymethyl)imidazolidin-2-one?
1-(dibutoxymethyl)imidazolidin-2-one has a molecular weight of 244.33 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutoxymethyl)imidazolidin-2-one is sourced from PubChem (CID 91549045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).