1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one

C11H13BrFN3O — CID 107599493

IUPAC1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1c(F)cccc1Br
InChIInChI=1S/C11H13BrFN3O/c12-8-2-1-3-9(13)10(8)14-4-6-16-7-5-15-11(16)17/h1-3,14H,4-7H2,(H,15,17)
InChIKeyPVBVYGUDIVALIN-UHFFFAOYSA-N
MW302.15 g/mol
LogP2.03
Rot. Bonds4

About 1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one

1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one (PubChem CID 107599493) has the molecular formula C11H13BrFN3O and a molecular weight of 302.15 g/mol. Its IUPAC name is 1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one
PubChem CID107599493
Molecular FormulaC11H13BrFN3O
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1c(F)cccc1Br
InChIInChI=1S/C11H13BrFN3O/c12-8-2-1-3-9(13)10(8)14-4-6-16-7-5-15-11(16)17/h1-3,14H,4-7H2,(H,15,17)
InChIKeyPVBVYGUDIVALIN-UHFFFAOYSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one
CID 43347754
1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one
CID 115564338
1-(2-anilinoethyl)imidazolidin-2-one
CID 28565231
1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one
CID 28580726
1-[2-(2,5-difluoroanilino)ethyl]imidazolidin-2-one
CID 28574585
1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one
CID 81271578
1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one
CID 62809560
3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
CID 28581002
N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide
CID 28579397
1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
CID 63037530
1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one
CID 28572437
1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one
CID 28576905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one (CID 107599493) is 1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1c(F)cccc1Br.
What is the InChIKey of 1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one?
The InChIKey is PVBVYGUDIVALIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3O/c12-8-2-1-3-9(13)10(8)14-4-6-16-7-5-15-11(16)17/h1-3,14H,4-7H2,(H,15,17).
What are the key properties of 1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one?
1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one has a molecular weight of 302.15 g/mol, XLogP of 2.03, 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-6-fluoroanilino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 107599493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).