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

C21H20N2O3 — CID 126241069

IUPAC(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C21H20N2O3/c1-15-5-3-7-17(13-15)14-23-20(24)19(22-21(23)25)8-4-6-16-9-11-18(26-2)12-10-16/h3-13H,14H2,1-2H3,(H,22,25)/b6-4+,19-8+
InChIKeyACCABRXBGPUVRR-LKIKGXGASA-N
MW348.40 g/mol
LogP3.65
Rot. Bonds5

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

(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126241069) 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-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID126241069
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C21H20N2O3/c1-15-5-3-7-17(13-15)14-23-20(24)19(22-21(23)25)8-4-6-16-9-11-18(26-2)12-10-16/h3-13H,14H2,1-2H3,(H,22,25)/b6-4+,19-8+
InChIKeyACCABRXBGPUVRR-LKIKGXGASA-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'}

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Related Compounds

(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126259685
5-[(4-hydroxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 848307
(5E)-3-[(3-methylphenyl)methyl]-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]imidazolidine-2,4-dione
CID 126238521
(5E)-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126252291
(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126230252
(5E)-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126237276
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126253346
(5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126254246
(5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126248453
(5E)-5-[[3,5-diiodo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126252786
(5E)-5-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126239153

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (CID 126241069) is (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is COc1ccc(/C=C/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1.
What is the InChIKey of (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is ACCABRXBGPUVRR-LKIKGXGASA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15-5-3-7-17(13-15)14-23-20(24)19(22-21(23)25)8-4-6-16-9-11-18(26-2)12-10-16/h3-13H,14H2,1-2H3,(H,22,25)/b6-4+,19-8+.
What are the key properties of (5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-3-[(3-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-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126241069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).