6-(bromomethyl)-1H-benzimidazole

C8H7BrN2 — CID 22163883

IUPAC6-(bromomethyl)-1H-benzimidazole
SMILESBrCc1ccc2nc[nH]c2c1
InChIInChI=1S/C8H7BrN2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4H2,(H,10,11)
InChIKeyIXYOZIVSKCRKCT-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.46
Rot. Bonds1

About 6-(bromomethyl)-1H-benzimidazole

6-(bromomethyl)-1H-benzimidazole (PubChem CID 22163883) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 6-(bromomethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(bromomethyl)-1H-benzimidazole
PubChem CID22163883
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name6-(bromomethyl)-1H-benzimidazole
SMILESBrCc1ccc2nc[nH]c2c1
InChIInChI=1S/C8H7BrN2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4H2,(H,10,11)
InChIKeyIXYOZIVSKCRKCT-UHFFFAOYSA-N
XLogP2.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.46
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-(bromomethyl)-1H-benzimidazole?
The IUPAC name of 6-(bromomethyl)-1H-benzimidazole (CID 22163883) is 6-(bromomethyl)-1H-benzimidazole.
What is the SMILES notation for 6-(bromomethyl)-1H-benzimidazole?
The canonical SMILES for 6-(bromomethyl)-1H-benzimidazole is BrCc1ccc2nc[nH]c2c1.
What is the InChIKey of 6-(bromomethyl)-1H-benzimidazole?
The InChIKey is IXYOZIVSKCRKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4H2,(H,10,11).
What are the key properties of 6-(bromomethyl)-1H-benzimidazole?
6-(bromomethyl)-1H-benzimidazole has a molecular weight of 211.06 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-1H-benzimidazole is sourced from PubChem (CID 22163883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).