4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole

C11H3Br2F7N2O — CID 20551895

IUPAC4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESFc1cc(OC(F)(F)F)cc(Br)c1-c1nc(Br)c(C(F)(F)F)[nH]1
InChIInChI=1S/C11H3Br2F7N2O/c12-4-1-3(23-11(18,19)20)2-5(14)6(4)9-21-7(8(13)22-9)10(15,16)17/h1-2H,(H,21,22)
InChIKeyFLGQYNWUZUSDST-UHFFFAOYSA-N
MW471.95 g/mol
LogP5.66
Rot. Bonds2

About 4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole

4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole (PubChem CID 20551895) has the molecular formula C11H3Br2F7N2O and a molecular weight of 471.95 g/mol. Its IUPAC name is 4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
PubChem CID20551895
Molecular FormulaC11H3Br2F7N2O
Molecular Weight471.95 g/mol
Exact Mass469.85
IUPAC Name4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESFc1cc(OC(F)(F)F)cc(Br)c1-c1nc(Br)c(C(F)(F)F)[nH]1
InChIInChI=1S/C11H3Br2F7N2O/c12-4-1-3(23-11(18,19)20)2-5(14)6(4)9-21-7(8(13)22-9)10(15,16)17/h1-2H,(H,21,22)
InChIKeyFLGQYNWUZUSDST-UHFFFAOYSA-N
XLogP5.66
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.95
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole (CID 20551895) is 4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole is Fc1cc(OC(F)(F)F)cc(Br)c1-c1nc(Br)c(C(F)(F)F)[nH]1.
What is the InChIKey of 4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is FLGQYNWUZUSDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Br2F7N2O/c12-4-1-3(23-11(18,19)20)2-5(14)6(4)9-21-7(8(13)22-9)10(15,16)17/h1-2H,(H,21,22).
What are the key properties of 4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole?
4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 471.95 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-bromo-6-fluoro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 20551895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).