(4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one

C16H11FN2O — CID 136893360

IUPAC(4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one
SMILESO=C1NC(c2cccc(F)c2)=N/C1=C/c1ccccc1
InChIInChI=1S/C16H11FN2O/c17-13-8-4-7-12(10-13)15-18-14(16(20)19-15)9-11-5-2-1-3-6-11/h1-10H,(H,18,19,20)/b14-9+
InChIKeyPIRIHBVWBZTWJS-NTEUORMPSA-N
MW266.28 g/mol
LogP2.74
Rot. Bonds2

About (4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one

(4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one (PubChem CID 136893360) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is (4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one
PubChem CID136893360
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name(4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one
SMILESO=C1NC(c2cccc(F)c2)=N/C1=C/c1ccccc1
InChIInChI=1S/C16H11FN2O/c17-13-8-4-7-12(10-13)15-18-14(16(20)19-15)9-11-5-2-1-3-6-11/h1-10H,(H,18,19,20)/b14-9+
InChIKeyPIRIHBVWBZTWJS-NTEUORMPSA-N
XLogP2.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.74
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

6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
(5Z)-5-(4-fluorobenzylidene)-2-(4-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 135517621
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
Mls000766271
CID 135431331
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
4-Hydroxy-2,6-diphenyl-5-pyrimidinecarbonitrile
CID 135409737
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
6-(Nonafluorobutyl)-2-phenylpyrimidin-4(3H)-one
CID 135446520
6-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)pyridin-2(1H)-one
CID 44573697
2-(4-Methylphenyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135406355
6-phenyl-2-[(E)-2-phenylethenyl]pyrimidin-4(1H)-one
CID 135580273

Frequently Asked Questions

What is the IUPAC name of (4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one?
The IUPAC name of (4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one (CID 136893360) is (4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one is O=C1NC(c2cccc(F)c2)=N/C1=C/c1ccccc1.
What is the InChIKey of (4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one?
The InChIKey is PIRIHBVWBZTWJS-NTEUORMPSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-13-8-4-7-12(10-13)15-18-14(16(20)19-15)9-11-5-2-1-3-6-11/h1-10H,(H,18,19,20)/b14-9+.
What are the key properties of (4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one?
(4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one has a molecular weight of 266.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one is sourced from PubChem (CID 136893360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).