(1H-benzimidazol-2-yl)phenylmethanol - ≥98% , CAS No.50-97-5

CAS: 50-97-5 Cat. No.: H1073696 Peso molecular: 224.26 Número EC: 200-073-0

GRADE & PURITY ≥98%

Synonyms

1H-1,3-benzodiazol-2-yl(phenyl)methanol | (1H-Benzo[d]imidazol-2-yl)(phenyl)methanol

Storage

Room temperature

Shipped In

Normal

Descripción general

1H-benzimidazol-2-yl(phenyl)methanol, also known as 1H-benzimidazol-2-yl(phenyl)methanol, is a valuable compound used for research purposes.The synthesis of 1H-benzimidazol-2-yl(phenyl)methanol involves a process in which o-phenylenediamine condenses with benzaldehyde, and then the resulting imine is reduced to obtain the corresponding amine.

Specifications

Sinónimos

1H-1, 3-benzodiazol-2-yl(phenyl)methanol | (1H-Benzo[d]imidazol-2-yl)(phenyl)methanol

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)O
• IUPAC Name: 1H-benzimidazol-2-yl(phenyl)methanol
• InChIKey: JEAWPIKEEQZLJQ-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2O/c17-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)16-14/h1-9,13,17H,(H,15,16)
• Peso molecular: 224.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Benzene and substituted derivatives Imidazoles Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Azacycle - Organopnictogen compound - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de fusión (°C): 206-211° C
• Peso molecular: 224.260 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 224.095 Da
• Monoisotopic Mass: 224.095 Da
• Topological Polar Surface Area: 48.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 253.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1