5-bromo-1-tert-butyl-6-fluorobenzimidazole

C11H12BrFN2 — CID 46739609

IUPAC5-bromo-1-tert-butyl-6-fluorobenzimidazole
SMILESCC(C)(C)n1cnc2cc(Br)c(F)cc21
InChIInChI=1S/C11H12BrFN2/c1-11(2,3)15-6-14-9-4-7(12)8(13)5-10(9)15/h4-6H,1-3H3
InChIKeyVZUNNTOJJDXTFK-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.69
Rot. Bonds

About 5-bromo-1-tert-butyl-6-fluorobenzimidazole

5-bromo-1-tert-butyl-6-fluorobenzimidazole (PubChem CID 46739609) has the molecular formula C11H12BrFN2 and a molecular weight of 271.13 g/mol. Its IUPAC name is 5-bromo-1-tert-butyl-6-fluorobenzimidazole.

Molecular Properties

Compound Name5-bromo-1-tert-butyl-6-fluorobenzimidazole
PubChem CID46739609
Molecular FormulaC11H12BrFN2
Molecular Weight271.13 g/mol
Exact Mass270.02
IUPAC Name5-bromo-1-tert-butyl-6-fluorobenzimidazole
SMILESCC(C)(C)n1cnc2cc(Br)c(F)cc21
InChIInChI=1S/C11H12BrFN2/c1-11(2,3)15-6-14-9-4-7(12)8(13)5-10(9)15/h4-6H,1-3H3
InChIKeyVZUNNTOJJDXTFK-UHFFFAOYSA-N
XLogP3.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1-tert-butyl-6-fluorobenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-tert-butyl-6-fluorobenzimidazole?
The IUPAC name of 5-bromo-1-tert-butyl-6-fluorobenzimidazole (CID 46739609) is 5-bromo-1-tert-butyl-6-fluorobenzimidazole.
What is the SMILES notation for 5-bromo-1-tert-butyl-6-fluorobenzimidazole?
The canonical SMILES for 5-bromo-1-tert-butyl-6-fluorobenzimidazole is CC(C)(C)n1cnc2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-1-tert-butyl-6-fluorobenzimidazole?
The InChIKey is VZUNNTOJJDXTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2/c1-11(2,3)15-6-14-9-4-7(12)8(13)5-10(9)15/h4-6H,1-3H3.
What are the key properties of 5-bromo-1-tert-butyl-6-fluorobenzimidazole?
5-bromo-1-tert-butyl-6-fluorobenzimidazole has a molecular weight of 271.13 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-tert-butyl-6-fluorobenzimidazole is sourced from PubChem (CID 46739609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).