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

C4H5ClN2O2 — CID 70418919

IUPAC5-chloro-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(Cl)C1=O
InChIInChI=1S/C4H5ClN2O2/c1-7-3(8)2(5)6-4(7)9/h2H,1H3,(H,6,9)
InChIKeyOBRNELDKAVLTDJ-UHFFFAOYSA-N
MW148.55 g/mol
LogP-0.27
Rot. Bonds

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

5-chloro-3-methylimidazolidine-2,4-dione (PubChem CID 70418919) has the molecular formula C4H5ClN2O2 and a molecular weight of 148.55 g/mol. Its IUPAC name is 5-chloro-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-3-methylimidazolidine-2,4-dione
PubChem CID70418919
Molecular FormulaC4H5ClN2O2
Molecular Weight148.55 g/mol
Exact Mass148.00
IUPAC Name5-chloro-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(Cl)C1=O
InChIInChI=1S/C4H5ClN2O2/c1-7-3(8)2(5)6-4(7)9/h2H,1H3,(H,6,9)
InChIKeyOBRNELDKAVLTDJ-UHFFFAOYSA-N
XLogP-0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.55
LogP ≤ 5-0.27
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': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylimidazolidine-2,4-dione?
The IUPAC name of 5-chloro-3-methylimidazolidine-2,4-dione (CID 70418919) is 5-chloro-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-chloro-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-chloro-3-methylimidazolidine-2,4-dione is CN1C(=O)NC(Cl)C1=O.
What is the InChIKey of 5-chloro-3-methylimidazolidine-2,4-dione?
The InChIKey is OBRNELDKAVLTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2/c1-7-3(8)2(5)6-4(7)9/h2H,1H3,(H,6,9).
What are the key properties of 5-chloro-3-methylimidazolidine-2,4-dione?
5-chloro-3-methylimidazolidine-2,4-dione has a molecular weight of 148.55 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 70418919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).