2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole

C9H6Br2F2N2 — CID 131475908

IUPAC2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole
SMILESFC(F)c1ccc2[nH]c(Br)nc2c1CBr
InChIInChI=1S/C9H6Br2F2N2/c10-3-5-4(8(12)13)1-2-6-7(5)15-9(11)14-6/h1-2,8H,3H2,(H,14,15)
InChIKeyWQQOIJYECQLGDF-UHFFFAOYSA-N
MW339.97 g/mol
LogP4.16
Rot. Bonds2

About 2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole

2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole (PubChem CID 131475908) has the molecular formula C9H6Br2F2N2 and a molecular weight of 339.97 g/mol. Its IUPAC name is 2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole
PubChem CID131475908
Molecular FormulaC9H6Br2F2N2
Molecular Weight339.97 g/mol
Exact Mass337.89
IUPAC Name2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole
SMILESFC(F)c1ccc2[nH]c(Br)nc2c1CBr
InChIInChI=1S/C9H6Br2F2N2/c10-3-5-4(8(12)13)1-2-6-7(5)15-9(11)14-6/h1-2,8H,3H2,(H,14,15)
InChIKeyWQQOIJYECQLGDF-UHFFFAOYSA-N
XLogP4.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.97
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole
CID 131092157
5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine
CID 130883683
2-bromo-7-(difluoromethyl)-3H-benzimidazole-5-carbonitrile
CID 131296252
2,4-dibromo-1H-benzimidazole-5-carboxylic acid
CID 131190484
2-bromo-5-chloro-6-(difluoromethyl)-1H-benzimidazole
CID 130781487
2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098975
2,5-dibromo-1H-benzimidazole-4-sulfonyl chloride
CID 131585542
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 130109492
3-bromo-1-[2-(bromomethyl)-3-(difluoromethyl)phenyl]propan-1-one
CID 131417026
6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118849411
3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine
CID 130080016
4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine
CID 130096329

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole (CID 131475908) is 2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole is FC(F)c1ccc2[nH]c(Br)nc2c1CBr.
What is the InChIKey of 2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole?
The InChIKey is WQQOIJYECQLGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2F2N2/c10-3-5-4(8(12)13)1-2-6-7(5)15-9(11)14-6/h1-2,8H,3H2,(H,14,15).
What are the key properties of 2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole?
2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole has a molecular weight of 339.97 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 131475908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).