6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole

C8H5BrF2N2 — CID 75537228

IUPAC6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole
SMILESCc1nc2c(F)c(F)c(Br)cc2[nH]1
InChIInChI=1S/C8H5BrF2N2/c1-3-12-5-2-4(9)6(10)7(11)8(5)13-3/h2H,1H3,(H,12,13)
InChIKeyOGBVQXWHNYNXAM-UHFFFAOYSA-N
MW247.04 g/mol
LogP2.91
Rot. Bonds

About 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole

6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole (PubChem CID 75537228) has the molecular formula C8H5BrF2N2 and a molecular weight of 247.04 g/mol. Its IUPAC name is 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole
PubChem CID75537228
Molecular FormulaC8H5BrF2N2
Molecular Weight247.04 g/mol
Exact Mass245.96
IUPAC Name6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole
SMILESCc1nc2c(F)c(F)c(Br)cc2[nH]1
InChIInChI=1S/C8H5BrF2N2/c1-3-12-5-2-4(9)6(10)7(11)8(5)13-3/h2H,1H3,(H,12,13)
InChIKeyOGBVQXWHNYNXAM-UHFFFAOYSA-N
XLogP2.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-bromo-4,5-difluoro-2-methyl-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 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole?
The IUPAC name of 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole (CID 75537228) is 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole?
The canonical SMILES for 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole is Cc1nc2c(F)c(F)c(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole?
The InChIKey is OGBVQXWHNYNXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2/c1-3-12-5-2-4(9)6(10)7(11)8(5)13-3/h2H,1H3,(H,12,13).
What are the key properties of 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole?
6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole has a molecular weight of 247.04 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,5-difluoro-2-methyl-1H-benzimidazole is sourced from PubChem (CID 75537228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).