3-(chloromethyl)imidazolidine-2,4-dione

C4H5ClN2O2 — CID 55286294

IUPAC3-(chloromethyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCl
InChIInChI=1S/C4H5ClN2O2/c5-2-7-3(8)1-6-4(7)9/h1-2H2,(H,6,9)
InChIKeyOYUCIVPVYKVYNO-UHFFFAOYSA-N
MW148.55 g/mol
LogP-0.27
Rot. Bonds1

About 3-(chloromethyl)imidazolidine-2,4-dione

3-(chloromethyl)imidazolidine-2,4-dione (PubChem CID 55286294) has the molecular formula C4H5ClN2O2 and a molecular weight of 148.55 g/mol. Its IUPAC name is 3-(chloromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(chloromethyl)imidazolidine-2,4-dione
PubChem CID55286294
Molecular FormulaC4H5ClN2O2
Molecular Weight148.55 g/mol
Exact Mass148.00
IUPAC Name3-(chloromethyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCl
InChIInChI=1S/C4H5ClN2O2/c5-2-7-3(8)1-6-4(7)9/h1-2H2,(H,6,9)
InChIKeyOYUCIVPVYKVYNO-UHFFFAOYSA-N
XLogP-0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 3-(chloromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(chloromethyl)imidazolidine-2,4-dione (CID 55286294) is 3-(chloromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(chloromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(chloromethyl)imidazolidine-2,4-dione is O=C1CNC(=O)N1CCl.
What is the InChIKey of 3-(chloromethyl)imidazolidine-2,4-dione?
The InChIKey is OYUCIVPVYKVYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2/c5-2-7-3(8)1-6-4(7)9/h1-2H2,(H,6,9).
What are the key properties of 3-(chloromethyl)imidazolidine-2,4-dione?
3-(chloromethyl)imidazolidine-2,4-dione has a molecular weight of 148.55 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 55286294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).