4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one

C12H15BrFN3O — CID 116978274

IUPAC4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
SMILESCNCCN1CC(c2cc(Br)ccc2F)NC1=O
InChIInChI=1S/C12H15BrFN3O/c1-15-4-5-17-7-11(16-12(17)18)9-6-8(13)2-3-10(9)14/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,18)
InChIKeyONLYYQDPQMGCQU-UHFFFAOYSA-N
MW316.17 g/mol
LogP1.87
Rot. Bonds4

About 4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one

4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one (PubChem CID 116978274) has the molecular formula C12H15BrFN3O and a molecular weight of 316.17 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
PubChem CID116978274
Molecular FormulaC12H15BrFN3O
Molecular Weight316.17 g/mol
Exact Mass315.04
IUPAC Name4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
SMILESCNCCN1CC(c2cc(Br)ccc2F)NC1=O
InChIInChI=1S/C12H15BrFN3O/c1-15-4-5-17-7-11(16-12(17)18)9-6-8(13)2-3-10(9)14/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,18)
InChIKeyONLYYQDPQMGCQU-UHFFFAOYSA-N
XLogP1.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one (CID 116978274) is 4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one is CNCCN1CC(c2cc(Br)ccc2F)NC1=O.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one?
The InChIKey is ONLYYQDPQMGCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3O/c1-15-4-5-17-7-11(16-12(17)18)9-6-8(13)2-3-10(9)14/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,18).
What are the key properties of 4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one?
4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one has a molecular weight of 316.17 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 116978274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).