1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

C17H15ClN2O2 — CID 73012381

IUPAC1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H15ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyGHAJNZREWTZYQJ-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.70
Rot. Bonds3

About 1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 73012381) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID73012381
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H15ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyGHAJNZREWTZYQJ-UHFFFAOYSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
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 1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione (CID 73012381) is 1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione is CC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is GHAJNZREWTZYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 314.77 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 73012381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).