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

C11H10FN3O — CID 14448772

IUPAC(5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one
SMILESCN1C(N)=NC(=O)/C1=C/c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O/c1-15-9(10(16)14-11(15)13)6-7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,14,16)/b9-6-
InChIKeyAHUGKSXWZCATKY-TWGQIWQCSA-N
MW219.22 g/mol
LogP0.95
Rot. Bonds1

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

(5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one (PubChem CID 14448772) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one
PubChem CID14448772
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name(5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one
SMILESCN1C(N)=NC(=O)/C1=C/c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O/c1-15-9(10(16)14-11(15)13)6-7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,14,16)/b9-6-
InChIKeyAHUGKSXWZCATKY-TWGQIWQCSA-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one (CID 14448772) is (5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one is CN1C(N)=NC(=O)/C1=C/c1ccc(F)cc1.
What is the InChIKey of (5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one?
The InChIKey is AHUGKSXWZCATKY-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-15-9(10(16)14-11(15)13)6-7-2-4-8(12)5-3-7/h2-6H,1H3,(H2,13,14,16)/b9-6-.
What are the key properties of (5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one?
(5Z)-2-amino-5-[(4-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 (5Z)-2-amino-5-[(4-fluorophenyl)methylidene]-1-methylimidazol-4-one is sourced from PubChem (CID 14448772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).