4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole

C6H6BrF3N2 — CID 178121855

IUPAC4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole
SMILESCc1c(Br)nc(C(F)(F)F)n1C
InChIInChI=1S/C6H6BrF3N2/c1-3-4(7)11-5(12(3)2)6(8,9)10/h1-2H3
InChIKeyLZBQNRKMFVQYBW-UHFFFAOYSA-N
MW243.03 g/mol
LogP2.51
Rot. Bonds

About 4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole

4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole (PubChem CID 178121855) has the molecular formula C6H6BrF3N2 and a molecular weight of 243.03 g/mol. Its IUPAC name is 4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole
PubChem CID178121855
Molecular FormulaC6H6BrF3N2
Molecular Weight243.03 g/mol
Exact Mass241.97
IUPAC Name4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole
SMILESCc1c(Br)nc(C(F)(F)F)n1C
InChIInChI=1S/C6H6BrF3N2/c1-3-4(7)11-5(12(3)2)6(8,9)10/h1-2H3
InChIKeyLZBQNRKMFVQYBW-UHFFFAOYSA-N
XLogP2.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole?
The IUPAC name of 4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole (CID 178121855) is 4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole?
The canonical SMILES for 4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole is Cc1c(Br)nc(C(F)(F)F)n1C.
What is the InChIKey of 4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole?
The InChIKey is LZBQNRKMFVQYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3N2/c1-3-4(7)11-5(12(3)2)6(8,9)10/h1-2H3.
What are the key properties of 4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole?
4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole has a molecular weight of 243.03 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethyl-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 178121855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).