1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one

C19H19BrF2N2O3 — CID 176828852

IUPAC1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one
SMILESCC(F)(F)c1cccc(Br)c1COc1ccc(N2CC(CO)NC2=O)cc1
InChIInChI=1S/C19H19BrF2N2O3/c1-19(21,22)16-3-2-4-17(20)15(16)11-27-14-7-5-13(6-8-14)24-9-12(10-25)23-18(24)26/h2-8,12,25H,9-11H2,1H3,(H,23,26)
InChIKeyFUPOXHZIZANTMT-UHFFFAOYSA-N
MW441.27 g/mol
LogP4.03
Rot. Bonds6

About 1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one

1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one (PubChem CID 176828852) has the molecular formula C19H19BrF2N2O3 and a molecular weight of 441.27 g/mol. Its IUPAC name is 1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one
PubChem CID176828852
Molecular FormulaC19H19BrF2N2O3
Molecular Weight441.27 g/mol
Exact Mass440.05
IUPAC Name1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one
SMILESCC(F)(F)c1cccc(Br)c1COc1ccc(N2CC(CO)NC2=O)cc1
InChIInChI=1S/C19H19BrF2N2O3/c1-19(21,22)16-3-2-4-17(20)15(16)11-27-14-7-5-13(6-8-14)24-9-12(10-25)23-18(24)26/h2-8,12,25H,9-11H2,1H3,(H,23,26)
InChIKeyFUPOXHZIZANTMT-UHFFFAOYSA-N
XLogP4.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.27
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one?
The IUPAC name of 1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one (CID 176828852) is 1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one?
The canonical SMILES for 1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one is CC(F)(F)c1cccc(Br)c1COc1ccc(N2CC(CO)NC2=O)cc1.
What is the InChIKey of 1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one?
The InChIKey is FUPOXHZIZANTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF2N2O3/c1-19(21,22)16-3-2-4-17(20)15(16)11-27-14-7-5-13(6-8-14)24-9-12(10-25)23-18(24)26/h2-8,12,25H,9-11H2,1H3,(H,23,26).
What are the key properties of 1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one?
1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one has a molecular weight of 441.27 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-bromo-6-(1,1-difluoroethyl)phenyl]methoxy]phenyl]-4-(hydroxymethyl)imidazolidin-2-one is sourced from PubChem (CID 176828852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).