1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one

C11H12BrF2N3O — CID 43347754

IUPAC1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H12BrF2N3O/c12-8-5-7(13)6-9(14)10(8)15-1-3-17-4-2-16-11(17)18/h5-6,15H,1-4H2,(H,16,18)
InChIKeyJKASPUDMMICZQO-UHFFFAOYSA-N
MW320.14 g/mol
LogP2.16
Rot. Bonds4

About 1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one

1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one (PubChem CID 43347754) has the molecular formula C11H12BrF2N3O and a molecular weight of 320.14 g/mol. Its IUPAC name is 1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one
PubChem CID43347754
Molecular FormulaC11H12BrF2N3O
Molecular Weight320.14 g/mol
Exact Mass319.01
IUPAC Name1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H12BrF2N3O/c12-8-5-7(13)6-9(14)10(8)15-1-3-17-4-2-16-11(17)18/h5-6,15H,1-4H2,(H,16,18)
InChIKeyJKASPUDMMICZQO-UHFFFAOYSA-N
XLogP2.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one (CID 43347754) is 1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1c(F)cc(F)cc1Br.
What is the InChIKey of 1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one?
The InChIKey is JKASPUDMMICZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N3O/c12-8-5-7(13)6-9(14)10(8)15-1-3-17-4-2-16-11(17)18/h5-6,15H,1-4H2,(H,16,18).
What are the key properties of 1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one?
1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one has a molecular weight of 320.14 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 43347754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).