5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole

C11H10BrFN2 — CID 118026717

IUPAC5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole
SMILESCn1cncc1-c1cc(CF)ccc1Br
InChIInChI=1S/C11H10BrFN2/c1-15-7-14-6-11(15)9-4-8(5-13)2-3-10(9)12/h2-4,6-7H,5H2,1H3
InChIKeyHBACWRKTBDXQMC-UHFFFAOYSA-N
MW269.12 g/mol
LogP3.32
Rot. Bonds2

About 5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole

5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole (PubChem CID 118026717) has the molecular formula C11H10BrFN2 and a molecular weight of 269.12 g/mol. Its IUPAC name is 5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole
PubChem CID118026717
Molecular FormulaC11H10BrFN2
Molecular Weight269.12 g/mol
Exact Mass268.00
IUPAC Name5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole
SMILESCn1cncc1-c1cc(CF)ccc1Br
InChIInChI=1S/C11H10BrFN2/c1-15-7-14-6-11(15)9-4-8(5-13)2-3-10(9)12/h2-4,6-7H,5H2,1H3
InChIKeyHBACWRKTBDXQMC-UHFFFAOYSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole?
The IUPAC name of 5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole (CID 118026717) is 5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole.
What is the SMILES notation for 5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole?
The canonical SMILES for 5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole is Cn1cncc1-c1cc(CF)ccc1Br.
What is the InChIKey of 5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole?
The InChIKey is HBACWRKTBDXQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2/c1-15-7-14-6-11(15)9-4-8(5-13)2-3-10(9)12/h2-4,6-7H,5H2,1H3.
What are the key properties of 5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole?
5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole has a molecular weight of 269.12 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bromo-5-(fluoromethyl)phenyl]-1-methylimidazole is sourced from PubChem (CID 118026717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).