2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one

C11H10FN3O — CID 3829075

IUPAC2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one
SMILESCN1C(=Cc2ccccc2F)C(=O)N=C1N
InChIInChI=1S/C11H10FN3O/c1-15-9(10(16)14-11(15)13)6-7-4-2-3-5-8(7)12/h2-6H,1H3,(H2,13,14,16)
InChIKeyFORKWCOBBSGCKZ-UHFFFAOYSA-N
MW219.22 g/mol
LogP0.95
Rot. Bonds1

About 2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one

2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one (PubChem CID 3829075) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one
PubChem CID3829075
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one
SMILESCN1C(=Cc2ccccc2F)C(=O)N=C1N
InChIInChI=1S/C11H10FN3O/c1-15-9(10(16)14-11(15)13)6-7-4-2-3-5-8(7)12/h2-6H,1H3,(H2,13,14,16)
InChIKeyFORKWCOBBSGCKZ-UHFFFAOYSA-N
XLogP0.95
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-benzylidene-3-methyl-2-(methylsulfanyl)-3,5-dihydro-4H-imidazol-4-one
CID 1781845
5-[(Z)-(2-fluorophenyl)methylidene]-2-imino-1-methyldihydro-1H-imidazol-4-one
CID 16195720
(5Z)-5-(4-fluorobenzylidene)-2-imino-1-methylimidazolidin-4-one
CID 14448772
5-[(E)-(4-bromophenyl)methylidene]-2-imino-1-methyltetrahydro-4H-imidazol-4-one
CID 5936231
3-Methyl-5-((4-methylphenyl)methylene)-2-selenoxo-4-imidazolidinone
CID 6435386
2-Methylthio-3-methyl-5-benzylidene-4-imidazolone
CID 4245807
2-Amino-6-[(2,6-difluorophenyl)methyl]-3-methyl-pyrimidin-4-one
CID 5275883
(5Z)-5-benzylidene-3-methyl-2-propyliminoimidazolidin-4-one
CID 136025992
(5Z)-5-[(2-fluorophenyl)methylidene]-2,3-dimethylimidazol-4-one
CID 101509917
5-Benzylidene-2-imino-1-methyl-4-imidazolidinone
CID 5890202
(5Z)-5-[(3-fluorophenyl)methylidene]-2,3-dimethylimidazol-4-one
CID 168344476
Hydroxybenzylideneimidazolinone
CID 129673936

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one (CID 3829075) is 2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one is CN1C(=Cc2ccccc2F)C(=O)N=C1N.
What is the InChIKey of 2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one?
The InChIKey is FORKWCOBBSGCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-15-9(10(16)14-11(15)13)6-7-4-2-3-5-8(7)12/h2-6H,1H3,(H2,13,14,16).
What are the key properties of 2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one?
2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one has a molecular weight of 219.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-fluorophenyl)methylidene]-1-methylimidazol-4-one is sourced from PubChem (CID 3829075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).