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

C9H7ClN2O2 — CID 723871

IUPAC3-(4-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-4H,5H2,(H,11,14)
InChIKeyKOITZTFSFDMNKZ-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.40
Rot. Bonds1

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

3-(4-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 723871) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)imidazolidine-2,4-dione
PubChem CID723871
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name3-(4-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-4H,5H2,(H,11,14)
InChIKeyKOITZTFSFDMNKZ-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)imidazolidine-2,4-dione (CID 723871) is 3-(4-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)imidazolidine-2,4-dione is O=C1CNC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is KOITZTFSFDMNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-4H,5H2,(H,11,14).
What are the key properties of 3-(4-chlorophenyl)imidazolidine-2,4-dione?
3-(4-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 210.62 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 723871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).