6-bromo-4-fluoro-2-methyl-1H-benzimidazole

C8H6BrFN2 — CID 67151252

IUPAC6-bromo-4-fluoro-2-methyl-1H-benzimidazole
SMILESCc1nc2c(F)cc(Br)cc2[nH]1
InChIInChI=1S/C8H6BrFN2/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3,(H,11,12)
InChIKeyFCPITAHQUHVTFI-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.77
Rot. Bonds

About 6-bromo-4-fluoro-2-methyl-1H-benzimidazole

6-bromo-4-fluoro-2-methyl-1H-benzimidazole (PubChem CID 67151252) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-4-fluoro-2-methyl-1H-benzimidazole
PubChem CID67151252
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name6-bromo-4-fluoro-2-methyl-1H-benzimidazole
SMILESCc1nc2c(F)cc(Br)cc2[nH]1
InChIInChI=1S/C8H6BrFN2/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3,(H,11,12)
InChIKeyFCPITAHQUHVTFI-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-2-methyl-1H-benzimidazole?
The IUPAC name of 6-bromo-4-fluoro-2-methyl-1H-benzimidazole (CID 67151252) is 6-bromo-4-fluoro-2-methyl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-4-fluoro-2-methyl-1H-benzimidazole?
The canonical SMILES for 6-bromo-4-fluoro-2-methyl-1H-benzimidazole is Cc1nc2c(F)cc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-4-fluoro-2-methyl-1H-benzimidazole?
The InChIKey is FCPITAHQUHVTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3,(H,11,12).
What are the key properties of 6-bromo-4-fluoro-2-methyl-1H-benzimidazole?
6-bromo-4-fluoro-2-methyl-1H-benzimidazole has a molecular weight of 229.05 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-2-methyl-1H-benzimidazole is sourced from PubChem (CID 67151252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).