3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione

C17H12Cl2N2O3 — CID 71390525

IUPAC3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione
SMILESCC(=O)N1C(=O)NC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-10(22)21-15(23)17(20-16(21)24,11-2-6-13(18)7-3-11)12-4-8-14(19)9-5-12/h2-9H,1H3,(H,20,24)
InChIKeyWKDVGCMMVPLSEQ-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.34
Rot. Bonds2

About 3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione

3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 71390525) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione
PubChem CID71390525
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione
SMILESCC(=O)N1C(=O)NC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-10(22)21-15(23)17(20-16(21)24,11-2-6-13(18)7-3-11)12-4-8-14(19)9-5-12/h2-9H,1H3,(H,20,24)
InChIKeyWKDVGCMMVPLSEQ-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione (CID 71390525) is 3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione is CC(=O)N1C(=O)NC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is WKDVGCMMVPLSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-10(22)21-15(23)17(20-16(21)24,11-2-6-13(18)7-3-11)12-4-8-14(19)9-5-12/h2-9H,1H3,(H,20,24).
What are the key properties of 3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione?
3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 363.20 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5,5-bis(4-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 71390525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).