4,5-dibutoxyimidazolidin-2-one

C11H22N2O3 — CID 21781

IUPAC4,5-dibutoxyimidazolidin-2-one
SMILESCCCCOC1NC(=O)NC1OCCCC
InChIInChI=1S/C11H22N2O3/c1-3-5-7-15-9-10(13-11(14)12-9)16-8-6-4-2/h9-10H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyMVDATPNBKIXOKB-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.58
Rot. Bonds8

About 4,5-dibutoxyimidazolidin-2-one

4,5-dibutoxyimidazolidin-2-one (PubChem CID 21781) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4,5-dibutoxyimidazolidin-2-one.

Molecular Properties

Compound Name4,5-dibutoxyimidazolidin-2-one
PubChem CID21781
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4,5-dibutoxyimidazolidin-2-one
SMILESCCCCOC1NC(=O)NC1OCCCC
InChIInChI=1S/C11H22N2O3/c1-3-5-7-15-9-10(13-11(14)12-9)16-8-6-4-2/h9-10H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyMVDATPNBKIXOKB-UHFFFAOYSA-N
XLogP1.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4,5-dibutoxyimidazolidin-2-one?
The IUPAC name of 4,5-dibutoxyimidazolidin-2-one (CID 21781) is 4,5-dibutoxyimidazolidin-2-one.
What is the SMILES notation for 4,5-dibutoxyimidazolidin-2-one?
The canonical SMILES for 4,5-dibutoxyimidazolidin-2-one is CCCCOC1NC(=O)NC1OCCCC.
What is the InChIKey of 4,5-dibutoxyimidazolidin-2-one?
The InChIKey is MVDATPNBKIXOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-5-7-15-9-10(13-11(14)12-9)16-8-6-4-2/h9-10H,3-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 4,5-dibutoxyimidazolidin-2-one?
4,5-dibutoxyimidazolidin-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibutoxyimidazolidin-2-one is sourced from PubChem (CID 21781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).