5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine

C16H8BrF6N3 — CID 15947176

IUPAC5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine
SMILESFC(F)(F)c1cn(-c2ccc(Br)cn2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H8BrF6N3/c17-9-5-6-13(24-7-9)26-8-12(16(21,22)23)25-14(26)10-3-1-2-4-11(10)15(18,19)20/h1-8H
InChIKeyNONSVKMKYKECPX-UHFFFAOYSA-N
MW436.15 g/mol
LogP5.73
Rot. Bonds2

About 5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine

5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine (PubChem CID 15947176) has the molecular formula C16H8BrF6N3 and a molecular weight of 436.15 g/mol. Its IUPAC name is 5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine
PubChem CID15947176
Molecular FormulaC16H8BrF6N3
Molecular Weight436.15 g/mol
Exact Mass434.98
IUPAC Name5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine
SMILESFC(F)(F)c1cn(-c2ccc(Br)cn2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H8BrF6N3/c17-9-5-6-13(24-7-9)26-8-12(16(21,22)23)25-14(26)10-3-1-2-4-11(10)15(18,19)20/h1-8H
InChIKeyNONSVKMKYKECPX-UHFFFAOYSA-N
XLogP5.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.15
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[6-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]-3-pyridinyl]phenyl]methanesulfinate
CID 174561139
3-[4-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]benzenesulfonamide
CID 59251379
1-[4-(3-propan-2-ylsulfonylphenyl)phenyl]-4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazole
CID 59251628
2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole
CID 117259923
2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251264
2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,4,5-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251462
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251435
1-(5-bromo-2-pyridinyl)piperidin-4-ol;5-bromo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine;1-fluoro-2-(trifluoromethyl)benzene
CID 158018417
6-bromo-8-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 83169792
2-[1-[4-(2,4-difluorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251219
2-[1-[2-chloro-3-(3-chlorophenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 154280412

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine?
The IUPAC name of 5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine (CID 15947176) is 5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine.
What is the SMILES notation for 5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine?
The canonical SMILES for 5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine is FC(F)(F)c1cn(-c2ccc(Br)cn2)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine?
The InChIKey is NONSVKMKYKECPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrF6N3/c17-9-5-6-13(24-7-9)26-8-12(16(21,22)23)25-14(26)10-3-1-2-4-11(10)15(18,19)20/h1-8H.
What are the key properties of 5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine?
5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine has a molecular weight of 436.15 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine is sourced from PubChem (CID 15947176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).