(5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione

C20H17ClN2O4 — CID 126238418

IUPAC(5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
SMILESC=CCc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O
InChIInChI=1S/C20H17ClN2O4/c1-3-4-13-9-12(11-17(27-2)18(13)24)10-16-19(25)23(20(26)22-16)15-7-5-14(21)6-8-15/h3,5-11,24H,1,4H2,2H3,(H,22,26)/b16-10+
InChIKeyPEQBRQYDOUWLDI-MHWRWJLKSA-N
MW384.82 g/mol
LogP3.88
Rot. Bonds5

About (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione

(5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126238418) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID126238418
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name(5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
SMILESC=CCc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O
InChIInChI=1S/C20H17ClN2O4/c1-3-4-13-9-12(11-17(27-2)18(13)24)10-16-19(25)23(20(26)22-16)15-7-5-14(21)6-8-15/h3,5-11,24H,1,4H2,2H3,(H,22,26)/b16-10+
InChIKeyPEQBRQYDOUWLDI-MHWRWJLKSA-N
XLogP3.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]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

5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2929954
(5Z)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
CID 5345585
(5E)-3-(4-chlorophenyl)-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126173764
1-(4-chlorophenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6737882
3-(3-chlorophenyl)-5-[(3,4-diethoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione
CID 5253922
(5E)-5-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126234498
(5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126178845
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126017887
(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 50872377
1-(3-chlorophenyl)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6787043
(5Z)-5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126178097
(5Z)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 50872462

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione (CID 126238418) is (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione is C=CCc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O.
What is the InChIKey of (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is PEQBRQYDOUWLDI-MHWRWJLKSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-3-4-13-9-12(11-17(27-2)18(13)24)10-16-19(25)23(20(26)22-16)15-7-5-14(21)6-8-15/h3,5-11,24H,1,4H2,2H3,(H,22,26)/b16-10+.
What are the key properties of (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 384.82 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126238418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).