4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole

C11H3BrCl2F6N2 — CID 18947694

IUPAC4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cc(Cl)c(-c2nc(Br)c(C(F)(F)F)[nH]2)c(Cl)c1
InChIInChI=1S/C11H3BrCl2F6N2/c12-8-7(11(18,19)20)21-9(22-8)6-4(13)1-3(2-5(6)14)10(15,16)17/h1-2H,(H,21,22)
InChIKeyFSIOZFRMSSWAHB-UHFFFAOYSA-N
MW427.96 g/mol
LogP6.18
Rot. Bonds1

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

4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole (PubChem CID 18947694) has the molecular formula C11H3BrCl2F6N2 and a molecular weight of 427.96 g/mol. Its IUPAC name is 4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
PubChem CID18947694
Molecular FormulaC11H3BrCl2F6N2
Molecular Weight427.96 g/mol
Exact Mass425.88
IUPAC Name4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cc(Cl)c(-c2nc(Br)c(C(F)(F)F)[nH]2)c(Cl)c1
InChIInChI=1S/C11H3BrCl2F6N2/c12-8-7(11(18,19)20)21-9(22-8)6-4(13)1-3(2-5(6)14)10(15,16)17/h1-2H,(H,21,22)
InChIKeyFSIOZFRMSSWAHB-UHFFFAOYSA-N
XLogP6.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.96
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole (CID 18947694) is 4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1cc(Cl)c(-c2nc(Br)c(C(F)(F)F)[nH]2)c(Cl)c1.
What is the InChIKey of 4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is FSIOZFRMSSWAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3BrCl2F6N2/c12-8-7(11(18,19)20)21-9(22-8)6-4(13)1-3(2-5(6)14)10(15,16)17/h1-2H,(H,21,22).
What are the key properties of 4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole?
4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 427.96 g/mol, XLogP of 6.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 18947694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).