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

C16H10BrFN2O — CID 135421638

IUPAC(4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Br)cc2)=N/C1=C/c1ccccc1F
InChIInChI=1S/C16H10BrFN2O/c17-12-7-5-10(6-8-12)15-19-14(16(21)20-15)9-11-3-1-2-4-13(11)18/h1-9H,(H,19,20,21)/b14-9+
InChIKeyORHMOZANMSDUQF-NTEUORMPSA-N
MW345.17 g/mol
LogP3.51
Rot. Bonds2

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

(4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135421638) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is (4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one
PubChem CID135421638
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC Name(4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Br)cc2)=N/C1=C/c1ccccc1F
InChIInChI=1S/C16H10BrFN2O/c17-12-7-5-10(6-8-12)15-19-14(16(21)20-15)9-11-3-1-2-4-13(11)18/h1-9H,(H,19,20,21)/b14-9+
InChIKeyORHMOZANMSDUQF-NTEUORMPSA-N
XLogP3.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-(4-fluorobenzylidene)-2-(4-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 135517621
2-(4-bromophenyl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 136227800
N-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 136262716
2-Phenyl-4-(phenylmethylene)-1,3-diazolin-5-one
CID 135448411
(5Z)-3,5-Dihydro-2-phenyl-5-(phenylmethylene)-4H-imidazol-4-one
CID 135461307
2-Phenyl-5-benzylideneimidazol-4-one
CID 135463731
4H-Imidazol-4-one, 3,5-dihydro-5-((4-bromophenyl)methylene)-2-phenyl-3-((phenylmethylene)amino)-
CID 9589192
4H-Imidazol-4-one, 3,5-dihydro-5-((4-bromophenyl)methylene)-3-(((4-bromophenyl)methylene)amino)-2-phenyl-
CID 9589197
4H-Imidazol-4-one, 3,5-dihydro-3-(((4-bromophenyl)methylene)amino)-2-phenyl-5-(phenylmethylene)-
CID 9589222
(4Z)-2-(4-Bromophenyl)-4-[(2-fluorophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 135443017
(5Z)-2-(3-fluorophenyl)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-3,5-dihydro-4H-imidazol-4-one
CID 135619957
(4E)-4-[(4-fluorophenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 135448410

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one (CID 135421638) is (4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one is O=C1NC(c2ccc(Br)cc2)=N/C1=C/c1ccccc1F.
What is the InChIKey of (4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is ORHMOZANMSDUQF-NTEUORMPSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-12-7-5-10(6-8-12)15-19-14(16(21)20-15)9-11-3-1-2-4-13(11)18/h1-9H,(H,19,20,21)/b14-9+.
What are the key properties of (4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 345.17 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(4-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135421638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).