1,3-diacetyl-4-hydroxyimidazol-2-one

C7H8N2O4 — CID 54025907

IUPAC1,3-diacetyl-4-hydroxyimidazol-2-one
SMILESCC(=O)n1cc(O)n(C(C)=O)c1=O
InChIInChI=1S/C7H8N2O4/c1-4(10)8-3-6(12)9(5(2)11)7(8)13/h3,12H,1-2H3
InChIKeyLCDPIIMQDALEIJ-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.32
Rot. Bonds

About 1,3-diacetyl-4-hydroxyimidazol-2-one

1,3-diacetyl-4-hydroxyimidazol-2-one (PubChem CID 54025907) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 1,3-diacetyl-4-hydroxyimidazol-2-one.

Molecular Properties

Compound Name1,3-diacetyl-4-hydroxyimidazol-2-one
PubChem CID54025907
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name1,3-diacetyl-4-hydroxyimidazol-2-one
SMILESCC(=O)n1cc(O)n(C(C)=O)c1=O
InChIInChI=1S/C7H8N2O4/c1-4(10)8-3-6(12)9(5(2)11)7(8)13/h3,12H,1-2H3
InChIKeyLCDPIIMQDALEIJ-UHFFFAOYSA-N
XLogP-0.32
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-diacetyl-4-hydroxyimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-diacetyl-4-hydroxyimidazol-2-one?
The IUPAC name of 1,3-diacetyl-4-hydroxyimidazol-2-one (CID 54025907) is 1,3-diacetyl-4-hydroxyimidazol-2-one.
What is the SMILES notation for 1,3-diacetyl-4-hydroxyimidazol-2-one?
The canonical SMILES for 1,3-diacetyl-4-hydroxyimidazol-2-one is CC(=O)n1cc(O)n(C(C)=O)c1=O.
What is the InChIKey of 1,3-diacetyl-4-hydroxyimidazol-2-one?
The InChIKey is LCDPIIMQDALEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-4(10)8-3-6(12)9(5(2)11)7(8)13/h3,12H,1-2H3.
What are the key properties of 1,3-diacetyl-4-hydroxyimidazol-2-one?
1,3-diacetyl-4-hydroxyimidazol-2-one has a molecular weight of 184.15 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diacetyl-4-hydroxyimidazol-2-one is sourced from PubChem (CID 54025907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).