5,5-diiodo-3-methylimidazolidine-2,4-dione

C4H4I2N2O2 — CID 163809160

IUPAC5,5-diiodo-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(I)(I)C1=O
InChIInChI=1S/C4H4I2N2O2/c1-8-2(9)4(5,6)7-3(8)10/h1H3,(H,7,10)
InChIKeyNLTBXGXEVWSTAR-UHFFFAOYSA-N
MW365.90 g/mol
LogP0.69
Rot. Bonds

About 5,5-diiodo-3-methylimidazolidine-2,4-dione

5,5-diiodo-3-methylimidazolidine-2,4-dione (PubChem CID 163809160) has the molecular formula C4H4I2N2O2 and a molecular weight of 365.90 g/mol. Its IUPAC name is 5,5-diiodo-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diiodo-3-methylimidazolidine-2,4-dione
PubChem CID163809160
Molecular FormulaC4H4I2N2O2
Molecular Weight365.90 g/mol
Exact Mass365.84
IUPAC Name5,5-diiodo-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(I)(I)C1=O
InChIInChI=1S/C4H4I2N2O2/c1-8-2(9)4(5,6)7-3(8)10/h1H3,(H,7,10)
InChIKeyNLTBXGXEVWSTAR-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.90
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-3-methyl-5-sulfanylimidazolidine-2,4-dione
CID 87701231
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18714089
CID 59061380
CID 59061380
5-(2-aminoethyl)-5-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
CID 82302226
6-methyl-2-propan-2-yl-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 46933611
2-[(4S)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]ethyl-trimethylazanium
CID 102238148
5-(aminomethyl)-3-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 82302224
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
5-(aminomethyl)-5-(2,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione
CID 82295798
3,5-dimethyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 60585647
3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione
CID 82147925

Frequently Asked Questions

What is the IUPAC name of 5,5-diiodo-3-methylimidazolidine-2,4-dione?
The IUPAC name of 5,5-diiodo-3-methylimidazolidine-2,4-dione (CID 163809160) is 5,5-diiodo-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diiodo-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 5,5-diiodo-3-methylimidazolidine-2,4-dione is CN1C(=O)NC(I)(I)C1=O.
What is the InChIKey of 5,5-diiodo-3-methylimidazolidine-2,4-dione?
The InChIKey is NLTBXGXEVWSTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4I2N2O2/c1-8-2(9)4(5,6)7-3(8)10/h1H3,(H,7,10).
What are the key properties of 5,5-diiodo-3-methylimidazolidine-2,4-dione?
5,5-diiodo-3-methylimidazolidine-2,4-dione has a molecular weight of 365.90 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diiodo-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 163809160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).