(2-Benzimidazolyl)acetonitrile

Name: (2-Benzimidazolyl)acetonitrile
Brand: ChemScene
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CAS No. 4414-88-4
Cat. No. CS-W008228
Purity≥97%
MDL No.MFCD00005601

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(2-Benzimidazolyl)acetonitrile|CS-W008228

Structure of 4414-88-4

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Description

(2-Benzimidazolyl)acetonitrile features a benzimidazole core linked to a nitrile-bearing acetyl group, delivering a rigid, electron-deficient heterocyclic scaffold. This combination enables strong coordination with transition metals and enhances binding affinity in supramolecular systems. The nitrile moiety offers synthetic versatility for further derivatization, while the molecule exhibits good solubility in polar organic solvents and stability under standard bench conditions.

Application

(2-Benzimidazolyl)acetonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of bioactive heterocycles and pharmaceutical intermediates. Its nitrile group facilitates nucleophilic additions and subsequent transformations, while the benzimidazole moiety provides structural rigidity and hydrogen-bonding capacity. The compound exhibits good bench stability and compatibility with standard reaction conditions, simplifying purification and integration into multi-step syntheses.

General Information

CAS No. 4414-88-4
Cat. No. CS-W008228
Purity ≥97%
MDL No. MFCD00005601
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇N₃
Molecular Weight None
Synonym(s) Benzimidazolylacetonitrile
SMILES C1=CC=CC2=C1[NH]C(=N2)CC#N

Computational Chemistry Data

TPSA 52.47
LogP 1.62898
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

Key Words

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(2-Benzimidazolyl)acetonitrile

CAS No. 4414-88-4

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