6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole

C8H4Br2F2N2 — CID 119085035

IUPAC6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole
SMILESFC(F)(Br)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C8H4Br2F2N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
InChIKeyDQUNNEOSXYQJMW-UHFFFAOYSA-N
MW325.94 g/mol
LogP3.77
Rot. Bonds1

About 6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole

6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole (PubChem CID 119085035) has the molecular formula C8H4Br2F2N2 and a molecular weight of 325.94 g/mol. Its IUPAC name is 6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole
PubChem CID119085035
Molecular FormulaC8H4Br2F2N2
Molecular Weight325.94 g/mol
Exact Mass323.87
IUPAC Name6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole
SMILESFC(F)(Br)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C8H4Br2F2N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
InChIKeyDQUNNEOSXYQJMW-UHFFFAOYSA-N
XLogP3.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.94
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole (CID 119085035) is 6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole is FC(F)(Br)c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole?
The InChIKey is DQUNNEOSXYQJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14).
What are the key properties of 6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole?
6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole has a molecular weight of 325.94 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole is sourced from PubChem (CID 119085035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).