(5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione

C12H10BrN3O5 — CID 126243745

IUPAC(5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O
InChIInChI=1S/C12H10BrN3O5/c1-2-15-11(18)9(14-12(15)19)4-6-3-7(16(20)21)5-8(13)10(6)17/h3-5,17H,2H2,1H3,(H,14,19)/b9-4+
InChIKeyVISAJPWLBLDRAC-RUDMXATFSA-N
MW356.13 g/mol
LogP1.98
Rot. Bonds3

About (5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione

(5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione (PubChem CID 126243745) has the molecular formula C12H10BrN3O5 and a molecular weight of 356.13 g/mol. Its IUPAC name is (5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
PubChem CID126243745
Molecular FormulaC12H10BrN3O5
Molecular Weight356.13 g/mol
Exact Mass354.98
IUPAC Name(5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O
InChIInChI=1S/C12H10BrN3O5/c1-2-15-11(18)9(14-12(15)19)4-6-3-7(16(20)21)5-8(13)10(6)17/h3-5,17H,2H2,1H3,(H,14,19)/b9-4+
InChIKeyVISAJPWLBLDRAC-RUDMXATFSA-N
XLogP1.98
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.13
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126251195
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126246821
5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 3752635
(5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione
CID 126175612
(5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 124680507
(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126233258
(5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126245102
(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126227722
(5E)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126248234
2-[(4E)-4-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126106101
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 21230388
(4E)-4-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 137100185

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione (CID 126243745) is (5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione is CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O.
What is the InChIKey of (5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione?
The InChIKey is VISAJPWLBLDRAC-RUDMXATFSA-N. The full InChI is InChI=1S/C12H10BrN3O5/c1-2-15-11(18)9(14-12(15)19)4-6-3-7(16(20)21)5-8(13)10(6)17/h3-5,17H,2H2,1H3,(H,14,19)/b9-4+.
What are the key properties of (5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione?
(5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione has a molecular weight of 356.13 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 126243745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).