5-(2-chlorobenzoyl)imidazolidine-2,4-dione

C10H7ClN2O3 — CID 174599084

IUPAC5-(2-chlorobenzoyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C(=O)c2ccccc2Cl)N1
InChIInChI=1S/C10H7ClN2O3/c11-6-4-2-1-3-5(6)8(14)7-9(15)13-10(16)12-7/h1-4,7H,(H2,12,13,15,16)
InChIKeyOCAJRSBELBDBBT-UHFFFAOYSA-N
MW238.63 g/mol
LogP0.73
Rot. Bonds2

About 5-(2-chlorobenzoyl)imidazolidine-2,4-dione

5-(2-chlorobenzoyl)imidazolidine-2,4-dione (PubChem CID 174599084) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 5-(2-chlorobenzoyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chlorobenzoyl)imidazolidine-2,4-dione
PubChem CID174599084
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name5-(2-chlorobenzoyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C(=O)c2ccccc2Cl)N1
InChIInChI=1S/C10H7ClN2O3/c11-6-4-2-1-3-5(6)8(14)7-9(15)13-10(16)12-7/h1-4,7H,(H2,12,13,15,16)
InChIKeyOCAJRSBELBDBBT-UHFFFAOYSA-N
XLogP0.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorobenzoyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2-chlorobenzoyl)imidazolidine-2,4-dione (CID 174599084) is 5-(2-chlorobenzoyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-chlorobenzoyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-chlorobenzoyl)imidazolidine-2,4-dione is O=C1NC(=O)C(C(=O)c2ccccc2Cl)N1.
What is the InChIKey of 5-(2-chlorobenzoyl)imidazolidine-2,4-dione?
The InChIKey is OCAJRSBELBDBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-6-4-2-1-3-5(6)8(14)7-9(15)13-10(16)12-7/h1-4,7H,(H2,12,13,15,16).
What are the key properties of 5-(2-chlorobenzoyl)imidazolidine-2,4-dione?
5-(2-chlorobenzoyl)imidazolidine-2,4-dione has a molecular weight of 238.63 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorobenzoyl)imidazolidine-2,4-dione is sourced from PubChem (CID 174599084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).