(4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one

C18H13FN2O — CID 135619957

IUPAC(4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2cccc(F)c2)=N/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H13FN2O/c19-15-10-5-9-14(12-15)17-20-16(18(22)21-17)11-4-8-13-6-2-1-3-7-13/h1-12H,(H,20,21,22)/b8-4+,16-11-
InChIKeyGICBVPHXGCIDMZ-MAHQCVNESA-N
MW292.31 g/mol
LogP3.30
Rot. Bonds3

About (4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one

(4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one (PubChem CID 135619957) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is (4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one
PubChem CID135619957
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name(4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one
SMILESO=C1NC(c2cccc(F)c2)=N/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H13FN2O/c19-15-10-5-9-14(12-15)17-20-16(18(22)21-17)11-4-8-13-6-2-1-3-7-13/h1-12H,(H,20,21,22)/b8-4+,16-11-
InChIKeyGICBVPHXGCIDMZ-MAHQCVNESA-N
XLogP3.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.30
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 (4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one (CID 135619957) is (4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one is O=C1NC(c2cccc(F)c2)=N/C1=C\C=C\c1ccccc1.
What is the InChIKey of (4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one?
The InChIKey is GICBVPHXGCIDMZ-MAHQCVNESA-N. The full InChI is InChI=1S/C18H13FN2O/c19-15-10-5-9-14(12-15)17-20-16(18(22)21-17)11-4-8-13-6-2-1-3-7-13/h1-12H,(H,20,21,22)/b8-4+,16-11-.
What are the key properties of (4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one?
(4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one has a molecular weight of 292.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135619957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).