1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one

C10H8BrF3N2O — CID 154703612

IUPAC1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H8BrF3N2O/c11-7-5-6(10(12,13)14)1-2-8(7)16-4-3-15-9(16)17/h1-2,5H,3-4H2,(H,15,17)
InChIKeyDJKYPJIMJHXLJB-UHFFFAOYSA-N
MW309.09 g/mol
LogP3.00
Rot. Bonds1

About 1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 154703612) has the molecular formula C10H8BrF3N2O and a molecular weight of 309.09 g/mol. Its IUPAC name is 1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID154703612
Molecular FormulaC10H8BrF3N2O
Molecular Weight309.09 g/mol
Exact Mass307.98
IUPAC Name1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H8BrF3N2O/c11-7-5-6(10(12,13)14)1-2-8(7)16-4-3-15-9(16)17/h1-2,5H,3-4H2,(H,15,17)
InChIKeyDJKYPJIMJHXLJB-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 113296328
1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one
CID 102855679
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one
CID 89310722
1-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 115370963
1-[2-bromo-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712545
1-[2-bromo-4-(trifluoromethyl)phenyl]-4-ethynylpyrrolidin-2-one
CID 168502349
1-[2-bromo-4-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine
CID 115511932
2-[2-bromo-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 21269318
1-(5-chloro-2-fluorophenyl)imidazolidin-2-one
CID 115370461
4-(2-oxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 110860885
2-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzonitrile
CID 43153554
1-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 115370438

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 154703612) is 1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1NCCN1c1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is DJKYPJIMJHXLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2O/c11-7-5-6(10(12,13)14)1-2-8(7)16-4-3-15-9(16)17/h1-2,5H,3-4H2,(H,15,17).
What are the key properties of 1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 309.09 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 154703612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).