1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one

C10H10BrFN2O — CID 123342692

IUPAC1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(Br)cc2F)C1=O
InChIInChI=1S/C10H10BrFN2O/c1-13-4-5-14(10(13)15)9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3
InChIKeyWLKPZQATFWIPLU-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.46
Rot. Bonds1

About 1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one

1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one (PubChem CID 123342692) has the molecular formula C10H10BrFN2O and a molecular weight of 273.10 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one
PubChem CID123342692
Molecular FormulaC10H10BrFN2O
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(Br)cc2F)C1=O
InChIInChI=1S/C10H10BrFN2O/c1-13-4-5-14(10(13)15)9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3
InChIKeyWLKPZQATFWIPLU-UHFFFAOYSA-N
XLogP2.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one (CID 123342692) is 1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one is CN1CCN(c2ccc(Br)cc2F)C1=O.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one?
The InChIKey is WLKPZQATFWIPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c1-13-4-5-14(10(13)15)9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one?
1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one has a molecular weight of 273.10 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 123342692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).