4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one

C10H6F2N2O2 — CID 136629109

IUPAC4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC=NC1=Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C10H6F2N2O2/c11-6-1-5(2-7(12)9(6)15)3-8-10(16)14-4-13-8/h1-4,15H,(H,13,14,16)
InChIKeyNADLNPCBDCRFOK-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.17
Rot. Bonds1

About 4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one

4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136629109) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is 4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136629109
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one
SMILESO=C1NC=NC1=Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C10H6F2N2O2/c11-6-1-5(2-7(12)9(6)15)3-8-10(16)14-4-13-8/h1-4,15H,(H,13,14,16)
InChIKeyNADLNPCBDCRFOK-UHFFFAOYSA-N
XLogP1.17
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.17
H-Bond Donors ≤ 52
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 4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of 4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one (CID 136629109) is 4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for 4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for 4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one is O=C1NC=NC1=Cc1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is NADLNPCBDCRFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-6-1-5(2-7(12)9(6)15)3-8-10(16)14-4-13-8/h1-4,15H,(H,13,14,16).
What are the key properties of 4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 224.17 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136629109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).