(4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one

C13H13BrN2O — CID 136894654

IUPAC(4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
SMILESCC(C)C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1
InChIInChI=1S/C13H13BrN2O/c1-8(2)12-15-11(13(17)16-12)7-9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,16,17)/b11-7+
InChIKeyLUGKUQXHPPVFJD-YRNVUSSQSA-N
MW293.16 g/mol
LogP2.97
Rot. Bonds2

About (4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one

(4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one (PubChem CID 136894654) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is (4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
PubChem CID136894654
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name(4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
SMILESCC(C)C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1
InChIInChI=1S/C13H13BrN2O/c1-8(2)12-15-11(13(17)16-12)7-9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,16,17)/b11-7+
InChIKeyLUGKUQXHPPVFJD-YRNVUSSQSA-N
XLogP2.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895030
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373
(4E)-4-[(3-fluorophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
CID 136894760
(4Z)-2-propan-2-yl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
CID 136895621
2-(4-bromophenyl)-4-[[4-(diethylamino)phenyl]methylidene]-1H-imidazol-5-one
CID 135504837
(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
CID 136894502
(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 137309259
(4E)-4-[(4-bromophenyl)methylidene]-2-[2-(furan-2-yl)ethyl]-1H-imidazol-5-one
CID 136894687
2-(4-bromophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 2890621
(4E)-4-[(4-bromophenyl)methylidene]-2-[2-(3-chlorophenyl)ethyl]-1H-imidazol-5-one
CID 136894695
(4E)-2-ethyl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895029
(4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136894052

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one (CID 136894654) is (4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one is CC(C)C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1.
What is the InChIKey of (4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one?
The InChIKey is LUGKUQXHPPVFJD-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-8(2)12-15-11(13(17)16-12)7-9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,16,17)/b11-7+.
What are the key properties of (4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one?
(4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one has a molecular weight of 293.16 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-bromophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 136894654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).