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

C16H10ClFN2O — CID 136893629

IUPAC(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(F)cc1
InChIInChI=1S/C16H10ClFN2O/c17-12-5-3-11(4-6-12)15-19-14(16(21)20-15)9-10-1-7-13(18)8-2-10/h1-9H,(H,19,20,21)/b14-9+
InChIKeyYZAUGNORWRQGEO-NTEUORMPSA-N
MW300.72 g/mol
LogP3.40
Rot. Bonds2

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

(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136893629) has the molecular formula C16H10ClFN2O and a molecular weight of 300.72 g/mol. Its IUPAC name is (4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
PubChem CID136893629
Molecular FormulaC16H10ClFN2O
Molecular Weight300.72 g/mol
Exact Mass300.05
IUPAC Name(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(F)cc1
InChIInChI=1S/C16H10ClFN2O/c17-12-5-3-11(4-6-12)15-19-14(16(21)20-15)9-10-1-7-13(18)8-2-10/h1-9H,(H,19,20,21)/b14-9+
InChIKeyYZAUGNORWRQGEO-NTEUORMPSA-N
XLogP3.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.40
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-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893256
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373
(4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893624
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895902
(4E)-2-(4-fluorophenyl)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136895739
(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893093
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895684
4-[(4-chlorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one
CID 136665608
(4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893529
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135443011
2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one
CID 136665622
(4E)-4-[(3-bromophenyl)methylidene]-2-(3,4-difluorophenyl)-1H-imidazol-5-one
CID 136894651

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one (CID 136893629) is (4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one is O=C1NC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(F)cc1.
What is the InChIKey of (4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is YZAUGNORWRQGEO-NTEUORMPSA-N. The full InChI is InChI=1S/C16H10ClFN2O/c17-12-5-3-11(4-6-12)15-19-14(16(21)20-15)9-10-1-7-13(18)8-2-10/h1-9H,(H,19,20,21)/b14-9+.
What are the key properties of (4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 300.72 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136893629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).