1-(((5-Nitrofuran-2-yl)methylene)amino)imidazolidin-2-one
Basic information
- CAS
555-84-0- Standard SMILES
O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1- InChIKey
VSVAVMVWTLLTCH-UHFFFAOYSA-N- Molecular formula
- C8H8N4O4
- Average molar mass
- 224.17 g/mol
- Monoisotopic mass
- 224.05455475
Names & identifiers
- Preferred name
- 1-(((5-Nitrofuran-2-yl)methylene)amino)imidazolidin-2-one
- IUPAC
- 1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one
- English name
- Nifuradene
- Molecular formula
- C8H8N4O4
- Molecular weight
- 224.17
Names & synonyms
SCHEMBL1512261-(((5-nitrofuran-2-yl)methylene)amino)imidazolidin-2-one1-{[(5-Nitrofuran-2-yl)methylidene]amino}imidazolidin-2-oneNifuradeneNIFURADINE[(5-NITROFURFURYLIDENE)AMINO]-2-IMIDAZOLIDINONE1((5-NITROFURFURYLIDENE)AMINO)-2-IMIDAZOLIDINONE(1-(5-nitro-2-furanyl)methyleneamino)imidazolin-2-one2-Imidazolidinone, 1-[[(5-nitro-2-furanyl)methylene]amino]-
Database identifiers
- CAS
555-84-0- PubChem CID
- 11154
- DTXSID
DTXSID2020973
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 261.5 · 261.5-263° (dec)
- Boiling point
- 365.57 °C · 365.57°C (rough estimate)
- Density
- 1.4733 · 1.4733 (rough estimate)
- refractive index
- 1.659 · 1.6590 (estimate)
- Water Solubility
- 88 mg/L · 88mg/L(temperature not stated)
- CAS DataBase Reference
- 555 · 555-84-0
- FDA UNII
- 2 VX65207DR · 2VX65207DR
- Proposition 65 List
- 1 · 1-[(5-Nitrofurfurylidene)-amino]-2-imidazolidinone
- IARC
- 2 B · 2B (Vol. 7, Sup 7) 1987
- EPA Substance Registry System
- Nifuradene (555-84-0)
- Toxicity
- 50 orally · LD50 orally in rats: 1681 mg/kg (Goldenthal)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orally in rats: 1681 mg/kg (Goldenthal)
Chemistry & industry
Applications
UsesAntibacterial.
Additional notes
DefinitionChEBI: Nifuradene is a member of furans, a C-nitro compound and a semicarbazone.
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Compound notes
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