(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

C21H20N2O3 — CID 126259685

IUPAC(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C21H20N2O3/c1-15-6-8-17(9-7-15)14-23-20(24)19(22-21(23)25)5-3-4-16-10-12-18(26-2)13-11-16/h3-13H,14H2,1-2H3,(H,22,25)/b4-3+,19-5+
InChIKeyVITDDXAIODJVQL-BHJCNXLPSA-N
MW348.40 g/mol
LogP3.65
Rot. Bonds5

About (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126259685) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID126259685
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C21H20N2O3/c1-15-6-8-17(9-7-15)14-23-20(24)19(22-21(23)25)5-3-4-16-10-12-18(26-2)13-11-16/h3-13H,14H2,1-2H3,(H,22,25)/b4-3+,19-5+
InChIKeyVITDDXAIODJVQL-BHJCNXLPSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126241069
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
(5E)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126243860
(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 1021341
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126252150
ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 144616946
(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126259753
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126246397
5-[3-(furan-2-yl)prop-2-enylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 6614169
(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 6376994
5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 3933086
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126073621

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (CID 126259685) is (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is COc1ccc(/C=C/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is VITDDXAIODJVQL-BHJCNXLPSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15-6-8-17(9-7-15)14-23-20(24)19(22-21(23)25)5-3-4-16-10-12-18(26-2)13-11-16/h3-13H,14H2,1-2H3,(H,22,25)/b4-3+,19-5+.
What are the key properties of (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126259685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).