(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione

C12H11BrN2O4 — CID 124646332

IUPAC(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OC
InChIInChI=1S/C12H11BrN2O4/c1-18-9-4-6(7(13)5-10(9)19-2)3-8-11(16)15-12(17)14-8/h3-5H,1-2H3,(H2,14,15,16,17)/b8-3+
InChIKeyBGDFROLMUYLEIH-FPYGCLRLSA-N
MW327.13 g/mol
LogP1.65
Rot. Bonds3

About (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 124646332) has the molecular formula C12H11BrN2O4 and a molecular weight of 327.13 g/mol. Its IUPAC name is (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID124646332
Molecular FormulaC12H11BrN2O4
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OC
InChIInChI=1S/C12H11BrN2O4/c1-18-9-4-6(7(13)5-10(9)19-2)3-8-11(16)15-12(17)14-8/h3-5H,1-2H3,(H2,14,15,16,17)/b8-3+
InChIKeyBGDFROLMUYLEIH-FPYGCLRLSA-N
XLogP1.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 51.65
H-Bond Donors ≤ 52
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

(5Z)-5-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 697114
(5E)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 798139
(5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126053106
[5-bromo-2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] acetate
CID 1220912
5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2848836
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2189796
(5E)-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 751973
(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 760516
5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2912531
(5E)-5-[(2-bromo-5-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
CID 135272034
5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 2912680
3-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 4815875

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 124646332) is (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione is COc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OC.
What is the InChIKey of (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is BGDFROLMUYLEIH-FPYGCLRLSA-N. The full InChI is InChI=1S/C12H11BrN2O4/c1-18-9-4-6(7(13)5-10(9)19-2)3-8-11(16)15-12(17)14-8/h3-5H,1-2H3,(H2,14,15,16,17)/b8-3+.
What are the key properties of (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 327.13 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 124646332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).