(4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one

C16H10FN3O3 — CID 171753987

IUPAC(4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one
SMILESO=C1NC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(F)cc1
InChIInChI=1S/C16H10FN3O3/c17-12-6-4-10(5-7-12)8-14-16(21)19-15(18-14)11-2-1-3-13(9-11)20(22)23/h1-9H,(H,18,19,21)/b14-8-
InChIKeyFTDCLHKQNZJXDR-ZSOIEALJSA-N
MW311.27 g/mol
LogP2.65
Rot. Bonds3

About (4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one

(4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one (PubChem CID 171753987) has the molecular formula C16H10FN3O3 and a molecular weight of 311.27 g/mol. Its IUPAC name is (4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one
PubChem CID171753987
Molecular FormulaC16H10FN3O3
Molecular Weight311.27 g/mol
Exact Mass311.07
IUPAC Name(4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one
SMILESO=C1NC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(F)cc1
InChIInChI=1S/C16H10FN3O3/c17-12-6-4-10(5-7-12)8-14-16(21)19-15(18-14)11-2-1-3-13(9-11)20(22)23/h1-9H,(H,18,19,21)/b14-8-
InChIKeyFTDCLHKQNZJXDR-ZSOIEALJSA-N
XLogP2.65
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4Z)-1-(2,4-Difluorophenyl)-2-methyl-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 6292538
(5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
CID 6290589
(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
(5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one
CID 156601214
5-nitro-2,4-diphenyl-1H-pyrimidin-6-one
CID 137286196
(4E)-1-(3-Fluorophenyl)-2-methyl-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 46497453
2-(4-Chloro-3-nitrophenyl)-4-[(2-fluorophenyl)methylene]-1,3-diazolin-5-one
CID 135776936
(4E)-4-benzylidene-2-(3-fluorophenyl)-1H-imidazol-5-one
CID 136893360
(5Z)-3-(4-fluorophenyl)-5-(4-nitrobenzylidene)-2-phenyl-3,5-dihydro-4H-imidazol-4-one
CID 2270690
(Z)-4-benzylidene-2-(2-fluorophenyl)-1H-imidazol-5(4H)-one
CID 135699231
6-fluoro-2-(3-nitrophenyl)-3H-quinazolin-4-one
CID 135999586

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one (CID 171753987) is (4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one is O=C1NC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(F)cc1.
What is the InChIKey of (4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one?
The InChIKey is FTDCLHKQNZJXDR-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H10FN3O3/c17-12-6-4-10(5-7-12)8-14-16(21)19-15(18-14)11-2-1-3-13(9-11)20(22)23/h1-9H,(H,18,19,21)/b14-8-.
What are the key properties of (4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one?
(4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one has a molecular weight of 311.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one is sourced from PubChem (CID 171753987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).