2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole

C13H6BrF3N2 — CID 81463556

IUPAC2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
SMILESFc1cc(F)c2nc(-c3cc(Br)ccc3F)[nH]c2c1
InChIInChI=1S/C13H6BrF3N2/c14-6-1-2-9(16)8(3-6)13-18-11-5-7(15)4-10(17)12(11)19-13/h1-5H,(H,18,19)
InChIKeyWGSIRBMPFJYADP-UHFFFAOYSA-N
MW327.10 g/mol
LogP4.41
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole

2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole (PubChem CID 81463556) has the molecular formula C13H6BrF3N2 and a molecular weight of 327.10 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
PubChem CID81463556
Molecular FormulaC13H6BrF3N2
Molecular Weight327.10 g/mol
Exact Mass325.97
IUPAC Name2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
SMILESFc1cc(F)c2nc(-c3cc(Br)ccc3F)[nH]c2c1
InChIInChI=1S/C13H6BrF3N2/c14-6-1-2-9(16)8(3-6)13-18-11-5-7(15)4-10(17)12(11)19-13/h1-5H,(H,18,19)
InChIKeyWGSIRBMPFJYADP-UHFFFAOYSA-N
XLogP4.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole 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 2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole (CID 81463556) is 2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole is Fc1cc(F)c2nc(-c3cc(Br)ccc3F)[nH]c2c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole?
The InChIKey is WGSIRBMPFJYADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3N2/c14-6-1-2-9(16)8(3-6)13-18-11-5-7(15)4-10(17)12(11)19-13/h1-5H,(H,18,19).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole?
2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole has a molecular weight of 327.10 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 81463556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).