(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

C15H14Br2N2O4 — CID 126146955

IUPAC(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cc(OCC)c(O)c(Br)c2Br)C1=O
InChIInChI=1S/C15H14Br2N2O4/c1-3-5-19-14(21)9(18-15(19)22)6-8-7-10(23-4-2)13(20)12(17)11(8)16/h3,6-7,20H,1,4-5H2,2H3,(H,18,22)/b9-6+
InChIKeyHNVNFZDWORTPNC-RMKNXTFCSA-N
MW446.10 g/mol
LogP3.39
Rot. Bonds5

About (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 126146955) has the molecular formula C15H14Br2N2O4 and a molecular weight of 446.10 g/mol. Its IUPAC name is (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID126146955
Molecular FormulaC15H14Br2N2O4
Molecular Weight446.10 g/mol
Exact Mass443.93
IUPAC Name(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cc(OCC)c(O)c(Br)c2Br)C1=O
InChIInChI=1S/C15H14Br2N2O4/c1-3-5-19-14(21)9(18-15(19)22)6-8-7-10(23-4-2)13(20)12(17)11(8)16/h3,6-7,20H,1,4-5H2,2H3,(H,18,22)/b9-6+
InChIKeyHNVNFZDWORTPNC-RMKNXTFCSA-N
XLogP3.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.10
LogP ≤ 53.39
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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Related Compounds

(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 1005267
methyl 2-[5-bromo-4-[(E)-(2,5-dioxo-1-prop-2-enylimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetate
CID 126145312
methyl 5-[[(4Z)-4-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126404601
(5E)-5-[[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126130367
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 5025593
(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126146104
2-[2-chloro-4-[(E)-(2,5-dioxo-1-prop-2-enylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]acetic acid
CID 126143627
2-[4-[(E)-(2,5-dioxo-1-prop-2-enylimidazolidin-4-ylidene)methyl]-2-ethoxy-6-iodophenoxy]acetic acid
CID 126147428
(5E)-5-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126021636
(5E)-5-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126144447
(5Z)-5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1235610
(5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126133264

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (CID 126146955) is (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)N/C(=C/c2cc(OCC)c(O)c(Br)c2Br)C1=O.
What is the InChIKey of (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is HNVNFZDWORTPNC-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H14Br2N2O4/c1-3-5-19-14(21)9(18-15(19)22)6-8-7-10(23-4-2)13(20)12(17)11(8)16/h3,6-7,20H,1,4-5H2,2H3,(H,18,22)/b9-6+.
What are the key properties of (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 446.10 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 126146955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).