4-(difluoromethylidene)-1H-imidazol-5-one

C4H2F2N2O — CID 137083743

IUPAC4-(difluoromethylidene)-1H-imidazol-5-one
SMILESO=C1NC=NC1=C(F)F
InChIInChI=1S/C4H2F2N2O/c5-3(6)2-4(9)8-1-7-2/h1H,(H,7,8,9)
InChIKeyMALGYKMHSYYFIH-UHFFFAOYSA-N
MW132.07 g/mol
LogP0.25
Rot. Bonds

About 4-(difluoromethylidene)-1H-imidazol-5-one

4-(difluoromethylidene)-1H-imidazol-5-one (PubChem CID 137083743) has the molecular formula C4H2F2N2O and a molecular weight of 132.07 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name4-(difluoromethylidene)-1H-imidazol-5-one
PubChem CID137083743
Molecular FormulaC4H2F2N2O
Molecular Weight132.07 g/mol
Exact Mass132.01
IUPAC Name4-(difluoromethylidene)-1H-imidazol-5-one
SMILESO=C1NC=NC1=C(F)F
InChIInChI=1S/C4H2F2N2O/c5-3(6)2-4(9)8-1-7-2/h1H,(H,7,8,9)
InChIKeyMALGYKMHSYYFIH-UHFFFAOYSA-N
XLogP0.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.07
LogP ≤ 50.25
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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1H-imidazol-5-one?
The IUPAC name of 4-(difluoromethylidene)-1H-imidazol-5-one (CID 137083743) is 4-(difluoromethylidene)-1H-imidazol-5-one.
What is the SMILES notation for 4-(difluoromethylidene)-1H-imidazol-5-one?
The canonical SMILES for 4-(difluoromethylidene)-1H-imidazol-5-one is O=C1NC=NC1=C(F)F.
What is the InChIKey of 4-(difluoromethylidene)-1H-imidazol-5-one?
The InChIKey is MALGYKMHSYYFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2N2O/c5-3(6)2-4(9)8-1-7-2/h1H,(H,7,8,9).
What are the key properties of 4-(difluoromethylidene)-1H-imidazol-5-one?
4-(difluoromethylidene)-1H-imidazol-5-one has a molecular weight of 132.07 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 137083743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).