4-(5-bromo-2-fluorophenyl)imidazolidin-2-one

C9H8BrFN2O — CID 116855861

IUPAC4-(5-bromo-2-fluorophenyl)imidazolidin-2-one
SMILESO=C1NCC(c2cc(Br)ccc2F)N1
InChIInChI=1S/C9H8BrFN2O/c10-5-1-2-7(11)6(3-5)8-4-12-9(14)13-8/h1-3,8H,4H2,(H2,12,13,14)
InChIKeyBDVBVNHHIMHIIL-UHFFFAOYSA-N
MW259.08 g/mol
LogP1.94
Rot. Bonds1

About 4-(5-bromo-2-fluorophenyl)imidazolidin-2-one

4-(5-bromo-2-fluorophenyl)imidazolidin-2-one (PubChem CID 116855861) has the molecular formula C9H8BrFN2O and a molecular weight of 259.08 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)imidazolidin-2-one
PubChem CID116855861
Molecular FormulaC9H8BrFN2O
Molecular Weight259.08 g/mol
Exact Mass257.98
IUPAC Name4-(5-bromo-2-fluorophenyl)imidazolidin-2-one
SMILESO=C1NCC(c2cc(Br)ccc2F)N1
InChIInChI=1S/C9H8BrFN2O/c10-5-1-2-7(11)6(3-5)8-4-12-9(14)13-8/h1-3,8H,4H2,(H2,12,13,14)
InChIKeyBDVBVNHHIMHIIL-UHFFFAOYSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)imidazolidin-2-one?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)imidazolidin-2-one (CID 116855861) is 4-(5-bromo-2-fluorophenyl)imidazolidin-2-one.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)imidazolidin-2-one?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)imidazolidin-2-one is O=C1NCC(c2cc(Br)ccc2F)N1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)imidazolidin-2-one?
The InChIKey is BDVBVNHHIMHIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O/c10-5-1-2-7(11)6(3-5)8-4-12-9(14)13-8/h1-3,8H,4H2,(H2,12,13,14).
What are the key properties of 4-(5-bromo-2-fluorophenyl)imidazolidin-2-one?
4-(5-bromo-2-fluorophenyl)imidazolidin-2-one has a molecular weight of 259.08 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 116855861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).