(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione

C12H12N2O3 — CID 122192380

IUPAC(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C2/NC(=O)NC2=O)cc1C
InChIInChI=1S/C12H12N2O3/c1-7-5-8(3-4-10(7)17-2)6-9-11(15)14-12(16)13-9/h3-6H,1-2H3,(H2,13,14,15,16)/b9-6+
InChIKeyOZKYTUDMTVIMTP-RMKNXTFCSA-N
MW232.24 g/mol
LogP1.18
Rot. Bonds2

About (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 122192380) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID122192380
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C2/NC(=O)NC2=O)cc1C
InChIInChI=1S/C12H12N2O3/c1-7-5-8(3-4-10(7)17-2)6-9-11(15)14-12(16)13-9/h3-6H,1-2H3,(H2,13,14,15,16)/b9-6+
InChIKeyOZKYTUDMTVIMTP-RMKNXTFCSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione (CID 122192380) is (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione is COc1ccc(/C=C2/NC(=O)NC2=O)cc1C.
What is the InChIKey of (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is OZKYTUDMTVIMTP-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-5-8(3-4-10(7)17-2)6-9-11(15)14-12(16)13-9/h3-6H,1-2H3,(H2,13,14,15,16)/b9-6+.
What are the key properties of (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 122192380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).