5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one

C10H10BrFN2O — CID 116855964

IUPAC5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1c1cc(Br)ccc1F
InChIInChI=1S/C10H10BrFN2O/c1-14-9(5-13-10(14)15)7-4-6(11)2-3-8(7)12/h2-4,9H,5H2,1H3,(H,13,15)
InChIKeyFILKRINNYLNXIS-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.28
Rot. Bonds1

About 5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one

5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one (PubChem CID 116855964) has the molecular formula C10H10BrFN2O and a molecular weight of 273.10 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one
PubChem CID116855964
Molecular FormulaC10H10BrFN2O
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1c1cc(Br)ccc1F
InChIInChI=1S/C10H10BrFN2O/c1-14-9(5-13-10(14)15)7-4-6(11)2-3-8(7)12/h2-4,9H,5H2,1H3,(H,13,15)
InChIKeyFILKRINNYLNXIS-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one (CID 116855964) is 5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one is CN1C(=O)NCC1c1cc(Br)ccc1F.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one?
The InChIKey is FILKRINNYLNXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c1-14-9(5-13-10(14)15)7-4-6(11)2-3-8(7)12/h2-4,9H,5H2,1H3,(H,13,15).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one?
5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one has a molecular weight of 273.10 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-1-methylimidazolidin-2-one is sourced from PubChem (CID 116855964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).