4-bromo-1-methyl-2-(trifluoromethyl)imidazole

C5H4BrF3N2 — CID 162378095

IUPAC4-bromo-1-methyl-2-(trifluoromethyl)imidazole
SMILESCn1cc(Br)nc1C(F)(F)F
InChIInChI=1S/C5H4BrF3N2/c1-11-2-3(6)10-4(11)5(7,8)9/h2H,1H3
InChIKeyLZDZXXZTUHRGQO-UHFFFAOYSA-N
MW229.00 g/mol
LogP2.20
Rot. Bonds

About 4-bromo-1-methyl-2-(trifluoromethyl)imidazole

4-bromo-1-methyl-2-(trifluoromethyl)imidazole (PubChem CID 162378095) has the molecular formula C5H4BrF3N2 and a molecular weight of 229.00 g/mol. Its IUPAC name is 4-bromo-1-methyl-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name4-bromo-1-methyl-2-(trifluoromethyl)imidazole
PubChem CID162378095
Molecular FormulaC5H4BrF3N2
Molecular Weight229.00 g/mol
Exact Mass227.95
IUPAC Name4-bromo-1-methyl-2-(trifluoromethyl)imidazole
SMILESCn1cc(Br)nc1C(F)(F)F
InChIInChI=1S/C5H4BrF3N2/c1-11-2-3(6)10-4(11)5(7,8)9/h2H,1H3
InChIKeyLZDZXXZTUHRGQO-UHFFFAOYSA-N
XLogP2.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.00
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2-(trifluoromethyl)imidazole?
The IUPAC name of 4-bromo-1-methyl-2-(trifluoromethyl)imidazole (CID 162378095) is 4-bromo-1-methyl-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 4-bromo-1-methyl-2-(trifluoromethyl)imidazole?
The canonical SMILES for 4-bromo-1-methyl-2-(trifluoromethyl)imidazole is Cn1cc(Br)nc1C(F)(F)F.
What is the InChIKey of 4-bromo-1-methyl-2-(trifluoromethyl)imidazole?
The InChIKey is LZDZXXZTUHRGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF3N2/c1-11-2-3(6)10-4(11)5(7,8)9/h2H,1H3.
What are the key properties of 4-bromo-1-methyl-2-(trifluoromethyl)imidazole?
4-bromo-1-methyl-2-(trifluoromethyl)imidazole has a molecular weight of 229.00 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 162378095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).