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

C5H4BrF3N2 — CID 75355552

IUPAC5-bromo-1-methyl-2-(trifluoromethyl)imidazole
SMILESCn1c(Br)cnc1C(F)(F)F
InChIInChI=1S/C5H4BrF3N2/c1-11-3(6)2-10-4(11)5(7,8)9/h2H,1H3
InChIKeyOKMBQAWMQVQEID-UHFFFAOYSA-N
MW229.00 g/mol
LogP2.20
Rot. Bonds

About 5-bromo-1-methyl-2-(trifluoromethyl)imidazole

5-bromo-1-methyl-2-(trifluoromethyl)imidazole (PubChem CID 75355552) has the molecular formula C5H4BrF3N2 and a molecular weight of 229.00 g/mol. Its IUPAC name is 5-bromo-1-methyl-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name5-bromo-1-methyl-2-(trifluoromethyl)imidazole
PubChem CID75355552
Molecular FormulaC5H4BrF3N2
Molecular Weight229.00 g/mol
Exact Mass227.95
IUPAC Name5-bromo-1-methyl-2-(trifluoromethyl)imidazole
SMILESCn1c(Br)cnc1C(F)(F)F
InChIInChI=1S/C5H4BrF3N2/c1-11-3(6)2-10-4(11)5(7,8)9/h2H,1H3
InChIKeyOKMBQAWMQVQEID-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 5-bromo-1-methyl-2-(trifluoromethyl)imidazole?
The IUPAC name of 5-bromo-1-methyl-2-(trifluoromethyl)imidazole (CID 75355552) is 5-bromo-1-methyl-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 5-bromo-1-methyl-2-(trifluoromethyl)imidazole?
The canonical SMILES for 5-bromo-1-methyl-2-(trifluoromethyl)imidazole is Cn1c(Br)cnc1C(F)(F)F.
What is the InChIKey of 5-bromo-1-methyl-2-(trifluoromethyl)imidazole?
The InChIKey is OKMBQAWMQVQEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF3N2/c1-11-3(6)2-10-4(11)5(7,8)9/h2H,1H3.
What are the key properties of 5-bromo-1-methyl-2-(trifluoromethyl)imidazole?
5-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 5-bromo-1-methyl-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 75355552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).