1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one

C9H7BrF2N2O — CID 102855679

IUPAC1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one
SMILESO=C1NCCN1c1cc(Br)c(F)cc1F
InChIInChI=1S/C9H7BrF2N2O/c10-5-3-8(7(12)4-6(5)11)14-2-1-13-9(14)15/h3-4H,1-2H2,(H,13,15)
InChIKeyUPNQDGSYFUOBCW-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.26
Rot. Bonds1

About 1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one

1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one (PubChem CID 102855679) has the molecular formula C9H7BrF2N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one
PubChem CID102855679
Molecular FormulaC9H7BrF2N2O
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one
SMILESO=C1NCCN1c1cc(Br)c(F)cc1F
InChIInChI=1S/C9H7BrF2N2O/c10-5-3-8(7(12)4-6(5)11)14-2-1-13-9(14)15/h3-4H,1-2H2,(H,13,15)
InChIKeyUPNQDGSYFUOBCW-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one (CID 102855679) is 1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one is O=C1NCCN1c1cc(Br)c(F)cc1F.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one?
The InChIKey is UPNQDGSYFUOBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O/c10-5-3-8(7(12)4-6(5)11)14-2-1-13-9(14)15/h3-4H,1-2H2,(H,13,15).
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one?
1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one has a molecular weight of 277.07 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 102855679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).