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

C16H10F2N2O — CID 136893624

IUPAC(4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2F)=N/C1=C/c1ccc(F)cc1
InChIInChI=1S/C16H10F2N2O/c17-11-7-5-10(6-8-11)9-14-16(21)20-15(19-14)12-3-1-2-4-13(12)18/h1-9H,(H,19,20,21)/b14-9+
InChIKeyCLXQYCAUELHAGI-NTEUORMPSA-N
MW284.27 g/mol
LogP2.88
Rot. Bonds2

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

(4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136893624) has the molecular formula C16H10F2N2O and a molecular weight of 284.27 g/mol. Its IUPAC name is (4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
PubChem CID136893624
Molecular FormulaC16H10F2N2O
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name(4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2F)=N/C1=C/c1ccc(F)cc1
InChIInChI=1S/C16H10F2N2O/c17-11-7-5-10(6-8-11)9-14-16(21)20-15(19-14)12-3-1-2-4-13(12)18/h1-9H,(H,19,20,21)/b14-9+
InChIKeyCLXQYCAUELHAGI-NTEUORMPSA-N
XLogP2.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.88
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

(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893629
(4E)-4-benzylidene-2-(2-methoxyphenyl)-1H-imidazol-5-one
CID 136893365
(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one
CID 136894880
(4E)-2-(2-chlorophenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893309
(4E)-2-(2-methylphenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893303
(4E)-2-(2-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135517587
(4E)-4-benzylidene-2-[2-(2-fluorophenyl)ethyl]-1H-imidazol-5-one
CID 136893383
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373
4-(1,3-benzodioxol-5-ylmethylidene)-2-(2-chlorophenyl)-1H-imidazol-5-one
CID 135519720
(4E)-2-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1H-imidazol-5-one
CID 136894359
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895902
(1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one
CID 2387034

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one (CID 136893624) is (4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one is O=C1NC(c2ccccc2F)=N/C1=C/c1ccc(F)cc1.
What is the InChIKey of (4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is CLXQYCAUELHAGI-NTEUORMPSA-N. The full InChI is InChI=1S/C16H10F2N2O/c17-11-7-5-10(6-8-11)9-14-16(21)20-15(19-14)12-3-1-2-4-13(12)18/h1-9H,(H,19,20,21)/b14-9+.
What are the key properties of (4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 284.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136893624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).