1-chloro-5,5-dimethylimidazolidine-2,4-dione

C5H7ClN2O2 — CID 522340

IUPAC1-chloro-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1Cl
InChIInChI=1S/C5H7ClN2O2/c1-5(2)3(9)7-4(10)8(5)6/h1-2H3,(H,7,9,10)
InChIKeyUWMJRBYGKZOPCC-UHFFFAOYSA-N
MW162.58 g/mol
LogP0.47
Rot. Bonds

About 1-chloro-5,5-dimethylimidazolidine-2,4-dione

1-chloro-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 522340) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is 1-chloro-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-chloro-5,5-dimethylimidazolidine-2,4-dione
PubChem CID522340
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name1-chloro-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1Cl
InChIInChI=1S/C5H7ClN2O2/c1-5(2)3(9)7-4(10)8(5)6/h1-2H3,(H,7,9,10)
InChIKeyUWMJRBYGKZOPCC-UHFFFAOYSA-N
XLogP0.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-3-chloro-5,5-dimethylhydantoin
CID 61828
Dimethylhydantoin
CID 6491
1,3-Dichloro-5,5-dimethylhydantoin
CID 8360
3-Bromo-1-chloro-5,5-dimethylhydantoin
CID 31335
5-Ethyl-5-methylhydantoin
CID 82162
1,5,5-Trimethylimidazolidine-2,4-dione
CID 81295
3-Bromo-5,5-dimethylhydantoin
CID 288035
5,5-Dimethylimidazolidine-2,4-dione;formaldehyde
CID 3080741
1,3-Diiodo-5,5-dimethylimidazolidine-2,4-dione
CID 200534
2,2,5,5-Tetramethyl-4-imidazolidinone
CID 9812798
1-Chloro-2,2,5,5-tetramethylimidazolidin-4-one
CID 14774706
5-Methyl-5-(trifluoromethyl)-2,4-imidazolidinedione
CID 5311800

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-chloro-5,5-dimethylimidazolidine-2,4-dione (CID 522340) is 1-chloro-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-chloro-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-chloro-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)NC(=O)N1Cl.
What is the InChIKey of 1-chloro-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is UWMJRBYGKZOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O2/c1-5(2)3(9)7-4(10)8(5)6/h1-2H3,(H,7,9,10).
What are the key properties of 1-chloro-5,5-dimethylimidazolidine-2,4-dione?
1-chloro-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 162.58 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 522340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).