(5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione

C15H14Br2N2O4 — CID 19579099

IUPAC(5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESC=CCOc1c(OCC)cc(/C=C2\NC(=O)NC2=O)c(Br)c1Br
InChIInChI=1S/C15H14Br2N2O4/c1-3-5-23-13-10(22-4-2)7-8(11(16)12(13)17)6-9-14(20)19-15(21)18-9/h3,6-7H,1,4-5H2,2H3,(H2,18,19,20,21)/b9-6-
InChIKeyGHFRXXSJCDGDBP-TWGQIWQCSA-N
MW446.10 g/mol
LogP3.36
Rot. Bonds6

About (5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 19579099) has the molecular formula C15H14Br2N2O4 and a molecular weight of 446.10 g/mol. Its IUPAC name is (5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID19579099
Molecular FormulaC15H14Br2N2O4
Molecular Weight446.10 g/mol
Exact Mass443.93
IUPAC Name(5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESC=CCOc1c(OCC)cc(/C=C2\NC(=O)NC2=O)c(Br)c1Br
InChIInChI=1S/C15H14Br2N2O4/c1-3-5-23-13-10(22-4-2)7-8(11(16)12(13)17)6-9-14(20)19-15(21)18-9/h3,6-7H,1,4-5H2,2H3,(H2,18,19,20,21)/b9-6-
InChIKeyGHFRXXSJCDGDBP-TWGQIWQCSA-N
XLogP3.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.10
LogP ≤ 53.36
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 19579099) is (5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione is C=CCOc1c(OCC)cc(/C=C2\NC(=O)NC2=O)c(Br)c1Br.
What is the InChIKey of (5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is GHFRXXSJCDGDBP-TWGQIWQCSA-N. The full InChI is InChI=1S/C15H14Br2N2O4/c1-3-5-23-13-10(22-4-2)7-8(11(16)12(13)17)6-9-14(20)19-15(21)18-9/h3,6-7H,1,4-5H2,2H3,(H2,18,19,20,21)/b9-6-.
What are the key properties of (5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 446.10 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 19579099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).