3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione

C10H8FN3O2 — CID 154931732

IUPAC3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1N=Cc1ccc(F)cc1
InChIInChI=1S/C10H8FN3O2/c11-8-3-1-7(2-4-8)5-13-14-9(15)6-12-10(14)16/h1-5H,6H2,(H,12,16)
InChIKeyMDMRGWGFGXGVLU-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.71
Rot. Bonds2

About 3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione

3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 154931732) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione
PubChem CID154931732
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1N=Cc1ccc(F)cc1
InChIInChI=1S/C10H8FN3O2/c11-8-3-1-7(2-4-8)5-13-14-9(15)6-12-10(14)16/h1-5H,6H2,(H,12,16)
InChIKeyMDMRGWGFGXGVLU-UHFFFAOYSA-N
XLogP0.71
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione (CID 154931732) is 3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione is O=C1CNC(=O)N1N=Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is MDMRGWGFGXGVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-8-3-1-7(2-4-8)5-13-14-9(15)6-12-10(14)16/h1-5H,6H2,(H,12,16).
What are the key properties of 3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione?
3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 221.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 154931732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).