(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione

C12H11BrN2O2 — CID 126233258

IUPAC(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2ccccc2Br)C1=O
InChIInChI=1S/C12H11BrN2O2/c1-2-15-11(16)10(14-12(15)17)7-8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,14,17)/b10-7+
InChIKeyOLVAFNXSZLRBGE-JXMROGBWSA-N
MW295.14 g/mol
LogP2.36
Rot. Bonds2

About (5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione

(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione (PubChem CID 126233258) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is (5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
PubChem CID126233258
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2ccccc2Br)C1=O
InChIInChI=1S/C12H11BrN2O2/c1-2-15-11(16)10(14-12(15)17)7-8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,14,17)/b10-7+
InChIKeyOLVAFNXSZLRBGE-JXMROGBWSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione
CID 54398318
3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 131856720
(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
2-[(4E)-4-[(2-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 124661169
(5E)-5-[(2-bromophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126249726
(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
CID 156556130
(5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126200968
(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126227722
5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione
CID 156538318
(5E)-5-[[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126236759
(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126251195
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 5411335

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione (CID 126233258) is (5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione is CCN1C(=O)N/C(=C/c2ccccc2Br)C1=O.
What is the InChIKey of (5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione?
The InChIKey is OLVAFNXSZLRBGE-JXMROGBWSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-2-15-11(16)10(14-12(15)17)7-8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,14,17)/b10-7+.
What are the key properties of (5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione?
(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione has a molecular weight of 295.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 126233258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).