5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

C20H19FN2O4 — CID 2938431

IUPAC5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C=C2NC(=O)N(Cc3ccccc3F)C2=O)c(OC)c1C
InChIInChI=1S/C20H19FN2O4/c1-12-17(26-2)9-8-13(18(12)27-3)10-16-19(24)23(20(25)22-16)11-14-6-4-5-7-15(14)21/h4-10H,11H2,1-3H3,(H,22,25)
InChIKeySEBFMDMIDLUVJT-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.24
Rot. Bonds5

About 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 2938431) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID2938431
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C=C2NC(=O)N(Cc3ccccc3F)C2=O)c(OC)c1C
InChIInChI=1S/C20H19FN2O4/c1-12-17(26-2)9-8-13(18(12)27-3)10-16-19(24)23(20(25)22-16)11-14-6-4-5-7-15(14)21/h4-10H,11H2,1-3H3,(H,22,25)
InChIKeySEBFMDMIDLUVJT-UHFFFAOYSA-N
XLogP3.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3345892
(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 2188404
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 900298
2-[2-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126073693
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-methoxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 2188994
(5E)-5-[(2-chlorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126110932
5-[(2,6-dimethylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 68654624
3-[[2-[[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 3345717
(5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 1005281
(5E)-3-[(2-fluorophenyl)methyl]-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 1306478
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
CID 92955324
(5E)-5-[(1-tert-butyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126104375

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 2938431) is 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is COc1ccc(C=C2NC(=O)N(Cc3ccccc3F)C2=O)c(OC)c1C.
What is the InChIKey of 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is SEBFMDMIDLUVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-12-17(26-2)9-8-13(18(12)27-3)10-16-19(24)23(20(25)22-16)11-14-6-4-5-7-15(14)21/h4-10H,11H2,1-3H3,(H,22,25).
What are the key properties of 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 370.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2938431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).