(5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

C20H18BrFN2O4 — CID 6519209

IUPAC(5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCOc1cc(Br)c(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1OC
InChIInChI=1S/C20H18BrFN2O4/c1-3-28-18-10-14(21)13(9-17(18)27-2)8-16-19(25)24(20(26)23-16)11-12-6-4-5-7-15(12)22/h4-10H,3,11H2,1-2H3,(H,23,26)/b16-8-
InChIKeyPWQJRVKQHUVSBI-PXNMLYILSA-N
MW449.28 g/mol
LogP4.09
Rot. Bonds6

About (5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

(5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 6519209) has the molecular formula C20H18BrFN2O4 and a molecular weight of 449.28 g/mol. Its IUPAC name is (5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID6519209
Molecular FormulaC20H18BrFN2O4
Molecular Weight449.28 g/mol
Exact Mass448.04
IUPAC Name(5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCOc1cc(Br)c(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1OC
InChIInChI=1S/C20H18BrFN2O4/c1-3-28-18-10-14(21)13(9-17(18)27-2)8-16-19(25)24(20(26)23-16)11-12-6-4-5-7-15(12)22/h4-10H,3,11H2,1-2H3,(H,23,26)/b16-8-
InChIKeyPWQJRVKQHUVSBI-PXNMLYILSA-N
XLogP4.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.28
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 6519209) is (5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is CCOc1cc(Br)c(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1OC.
What is the InChIKey of (5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is PWQJRVKQHUVSBI-PXNMLYILSA-N. The full InChI is InChI=1S/C20H18BrFN2O4/c1-3-28-18-10-14(21)13(9-17(18)27-2)8-16-19(25)24(20(26)23-16)11-12-6-4-5-7-15(12)22/h4-10H,3,11H2,1-2H3,(H,23,26)/b16-8-.
What are the key properties of (5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
(5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 449.28 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 6519209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).