1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one

C11H12BrFN2O — CID 62491163

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(Br)cc2F)C1=O
InChIInChI=1S/C11H12BrFN2O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)6-10(8)13/h2-3,6H,4-5,7H2,1H3
InChIKeyHPOZUVBZEKJJIR-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.46
Rot. Bonds2

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

1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one (PubChem CID 62491163) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one
PubChem CID62491163
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(Br)cc2F)C1=O
InChIInChI=1S/C11H12BrFN2O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)6-10(8)13/h2-3,6H,4-5,7H2,1H3
InChIKeyHPOZUVBZEKJJIR-UHFFFAOYSA-N
XLogP2.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
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)methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one (CID 62491163) is 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2ccc(Br)cc2F)C1=O.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one?
The InChIKey is HPOZUVBZEKJJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)6-10(8)13/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one?
1-[(4-bromo-2-fluorophenyl)methyl]-3-methylimidazolidin-2-one has a molecular weight of 287.13 g/mol, XLogP of 2.46, 2 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)methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 62491163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).