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

C11H9BrN2O2 — CID 126200968

IUPAC(5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2ccccc2Br)C1=O
InChIInChI=1S/C11H9BrN2O2/c1-14-10(15)9(13-11(14)16)6-7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,16)/b9-6+
InChIKeyQNKZFNYXYQMQHJ-RMKNXTFCSA-N
MW281.11 g/mol
LogP1.97
Rot. Bonds1

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

(5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione (PubChem CID 126200968) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is (5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione
PubChem CID126200968
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name(5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2ccccc2Br)C1=O
InChIInChI=1S/C11H9BrN2O2/c1-14-10(15)9(13-11(14)16)6-7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,16)/b9-6+
InChIKeyQNKZFNYXYQMQHJ-RMKNXTFCSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.97
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

(5Z)-5-[(2-fluorophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 125493925
(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126233258
5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione
CID 54398318
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
3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4013801
(5E)-5-[(2-bromophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100863
(5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione
CID 807692
5-(isoquinolin-4-ylmethylidene)-3-methylimidazolidine-2,4-dione
CID 156538083
(5E)-5-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126195871
(5Z)-5-[(2-bromophenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 2276150
(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 19374978

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione (CID 126200968) is (5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione is CN1C(=O)N/C(=C/c2ccccc2Br)C1=O.
What is the InChIKey of (5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione?
The InChIKey is QNKZFNYXYQMQHJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-14-10(15)9(13-11(14)16)6-7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,16)/b9-6+.
What are the key properties of (5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione?
(5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione has a molecular weight of 281.11 g/mol, XLogP of 1.97, 1 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-methylimidazolidine-2,4-dione is sourced from PubChem (CID 126200968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).