1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione

C10H7BrFN3O2 — CID 9351164

IUPAC1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C\c2cc(Br)ccc2F)C(=O)N1
InChIInChI=1S/C10H7BrFN3O2/c11-7-1-2-8(12)6(3-7)4-13-15-5-9(16)14-10(15)17/h1-4H,5H2,(H,14,16,17)/b13-4-
InChIKeyDPKNMZOHGIKHDJ-PQMHYQBVSA-N
MW300.09 g/mol
LogP1.47
Rot. Bonds2

About 1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione

1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 9351164) has the molecular formula C10H7BrFN3O2 and a molecular weight of 300.09 g/mol. Its IUPAC name is 1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione
PubChem CID9351164
Molecular FormulaC10H7BrFN3O2
Molecular Weight300.09 g/mol
Exact Mass298.97
IUPAC Name1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(/N=C\c2cc(Br)ccc2F)C(=O)N1
InChIInChI=1S/C10H7BrFN3O2/c11-7-1-2-8(12)6(3-7)4-13-15-5-9(16)14-10(15)17/h1-4H,5H2,(H,14,16,17)/b13-4-
InChIKeyDPKNMZOHGIKHDJ-PQMHYQBVSA-N
XLogP1.47
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.09
LogP ≤ 51.47
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 1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione (CID 9351164) is 1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione is O=C1CN(/N=C\c2cc(Br)ccc2F)C(=O)N1.
What is the InChIKey of 1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is DPKNMZOHGIKHDJ-PQMHYQBVSA-N. The full InChI is InChI=1S/C10H7BrFN3O2/c11-7-1-2-8(12)6(3-7)4-13-15-5-9(16)14-10(15)17/h1-4H,5H2,(H,14,16,17)/b13-4-.
What are the key properties of 1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione?
1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 300.09 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 9351164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).