1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione

C17H13ClN2O2 — CID 25190439

IUPAC1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(Cc2ccccc2)C1=Cc1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)10-15-16(21)19-17(22)20(15)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,21,22)
InChIKeyGIYYVKMTMUUEFI-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.43
Rot. Bonds3

About 1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione

1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 25190439) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID25190439
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(Cc2ccccc2)C1=Cc1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)10-15-16(21)19-17(22)20(15)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,21,22)
InChIKeyGIYYVKMTMUUEFI-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione (CID 25190439) is 1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)N(Cc2ccccc2)C1=Cc1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is GIYYVKMTMUUEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)10-15-16(21)19-17(22)20(15)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,21,22).
What are the key properties of 1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?
1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 312.76 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 25190439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).