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

C11H9FN2O — CID 136893560

IUPAC(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one
SMILESCC1=N/C(=C\c2ccccc2F)C(=O)N1
InChIInChI=1S/C11H9FN2O/c1-7-13-10(11(15)14-7)6-8-4-2-3-5-9(8)12/h2-6H,1H3,(H,13,14,15)/b10-6-
InChIKeyGZQNXWZZTKEQDT-POHAHGRESA-N
MW204.20 g/mol
LogP1.71
Rot. Bonds1

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

(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one (PubChem CID 136893560) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is (4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one
PubChem CID136893560
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one
SMILESCC1=N/C(=C\c2ccccc2F)C(=O)N1
InChIInChI=1S/C11H9FN2O/c1-7-13-10(11(15)14-7)6-8-4-2-3-5-9(8)12/h2-6H,1H3,(H,13,14,15)/b10-6-
InChIKeyGZQNXWZZTKEQDT-POHAHGRESA-N
XLogP1.71
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.71
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

(4Z)-4-[(2-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
CID 136893590
(4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893587
(4Z)-4-[(2-fluorophenyl)methylidene]-2-pyridin-3-yl-1H-imidazol-5-one
CID 136893570
(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 137309259
(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893825
4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885
(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-fluorophenyl)-1H-imidazol-5-one
CID 136894880
(4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517615
(5Z)-5-[(2-fluorophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 125493925
(4E)-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893624
5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3785989
(5E)-5-benzylidene-3-methyl-1,2-dihydro-1,2,4-triazin-6-one
CID 17463875

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one (CID 136893560) is (4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one is CC1=N/C(=C\c2ccccc2F)C(=O)N1.
What is the InChIKey of (4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one?
The InChIKey is GZQNXWZZTKEQDT-POHAHGRESA-N. The full InChI is InChI=1S/C11H9FN2O/c1-7-13-10(11(15)14-7)6-8-4-2-3-5-9(8)12/h2-6H,1H3,(H,13,14,15)/b10-6-.
What are the key properties of (4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one?
(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one has a molecular weight of 204.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one is sourced from PubChem (CID 136893560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).