2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole

C10H6BrF3N2 — CID 172992579

IUPAC2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(Br)cc1-c1ncc[nH]1
InChIInChI=1S/C10H6BrF3N2/c11-6-1-2-8(10(12,13)14)7(5-6)9-15-3-4-16-9/h1-5H,(H,15,16)
InChIKeyPAECKJVRRMNAPF-UHFFFAOYSA-N
MW291.07 g/mol
LogP3.86
Rot. Bonds1

About 2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole

2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole (PubChem CID 172992579) has the molecular formula C10H6BrF3N2 and a molecular weight of 291.07 g/mol. Its IUPAC name is 2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole
PubChem CID172992579
Molecular FormulaC10H6BrF3N2
Molecular Weight291.07 g/mol
Exact Mass289.97
IUPAC Name2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(Br)cc1-c1ncc[nH]1
InChIInChI=1S/C10H6BrF3N2/c11-6-1-2-8(10(12,13)14)7(5-6)9-15-3-4-16-9/h1-5H,(H,15,16)
InChIKeyPAECKJVRRMNAPF-UHFFFAOYSA-N
XLogP3.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole?
The IUPAC name of 2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole (CID 172992579) is 2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole.
What is the SMILES notation for 2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole?
The canonical SMILES for 2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole is FC(F)(F)c1ccc(Br)cc1-c1ncc[nH]1.
What is the InChIKey of 2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole?
The InChIKey is PAECKJVRRMNAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2/c11-6-1-2-8(10(12,13)14)7(5-6)9-15-3-4-16-9/h1-5H,(H,15,16).
What are the key properties of 2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole?
2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole has a molecular weight of 291.07 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 172992579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).