imidazole-2,4-dione;imidazolidine-2,4-dione

C6H6N4O4 — CID 160657989

IUPACimidazole-2,4-dione;imidazolidine-2,4-dione
SMILESO=C1C=NC(=O)N1.O=C1CNC(=O)N1
InChIInChI=1S/C3H4N2O2.C3H2N2O2/c2*6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7);1H,(H,5,6,7)
InChIKeyRLHLZUKAYBPPAJ-UHFFFAOYSA-N
MW198.14 g/mol
LogP-1.87
Rot. Bonds

About imidazole-2,4-dione;imidazolidine-2,4-dione

imidazole-2,4-dione;imidazolidine-2,4-dione (PubChem CID 160657989) has the molecular formula C6H6N4O4 and a molecular weight of 198.14 g/mol. Its IUPAC name is imidazole-2,4-dione;imidazolidine-2,4-dione.

Molecular Properties

Compound Nameimidazole-2,4-dione;imidazolidine-2,4-dione
PubChem CID160657989
Molecular FormulaC6H6N4O4
Molecular Weight198.14 g/mol
Exact Mass198.04
IUPAC Nameimidazole-2,4-dione;imidazolidine-2,4-dione
SMILESO=C1C=NC(=O)N1.O=C1CNC(=O)N1
InChIInChI=1S/C3H4N2O2.C3H2N2O2/c2*6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7);1H,(H,5,6,7)
InChIKeyRLHLZUKAYBPPAJ-UHFFFAOYSA-N
XLogP-1.87
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

copper;imidazolidine-2,4-dione
CID 67120841
imidazolidine-2,4-dione;trihydrate
CID 70617866
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CID 90911393
CID 67541617
CID 67541617
acetamide;imidazolidine-2,4-dione
CID 159110028
imidazolidine-2,4-dione;pyrazolidin-3-one
CID 67936630
1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione
CID 71073934
bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide
CID 139202074
imidazolidine-2,4-dione;imidazolidin-2-one;tris(2-methylpropane);1,3-thiazolidine-2,5-dione
CID 160894292
ethyl propanoate;imidazolidine-2,4-dione
CID 174888104
3-hydroxybenzoic acid;imidazolidine-2,4-dione
CID 157464345
1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 71356739

Frequently Asked Questions

What is the IUPAC name of imidazole-2,4-dione;imidazolidine-2,4-dione?
The IUPAC name of imidazole-2,4-dione;imidazolidine-2,4-dione (CID 160657989) is imidazole-2,4-dione;imidazolidine-2,4-dione.
What is the SMILES notation for imidazole-2,4-dione;imidazolidine-2,4-dione?
The canonical SMILES for imidazole-2,4-dione;imidazolidine-2,4-dione is O=C1C=NC(=O)N1.O=C1CNC(=O)N1.
What is the InChIKey of imidazole-2,4-dione;imidazolidine-2,4-dione?
The InChIKey is RLHLZUKAYBPPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2.C3H2N2O2/c2*6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7);1H,(H,5,6,7).
What are the key properties of imidazole-2,4-dione;imidazolidine-2,4-dione?
imidazole-2,4-dione;imidazolidine-2,4-dione has a molecular weight of 198.14 g/mol, XLogP of -1.87, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazole-2,4-dione;imidazolidine-2,4-dione is sourced from PubChem (CID 160657989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).