2-(2-Hydroxyphenyl)-1H-benzimidazole - Moligand™, ≥95% , CAS No.2963-66-8

CAS: 2963-66-8 Cat. No.: H169357 Peso molecular: 210.23 Número EC: 626-869-1

GRADE & PURITY Moligand™, ≥95%

Synonyms

2-(1H-benzo[d]imidazol-2-yl)phenol | 2-(2-Benzimidazolyl)phenol | 2-(2-Hydroxyphenyl)-1H-benzimidazole, 95% | 2-(2-Hydroxyphenyl)benzimidazole | CAA96366 | 2-(1H-Benzoimidazol-2-yl)-phenol | DTXSID7062746 | PD158855 | 2-(1H-1,3-benzodiazol-2-yl)phenol | M

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Descripción general

2-(2′-Hydroxyphenyl) benzimidazole is the most extensively studied excited-state intramolecular proton transfer (ESIPT) molecule, exhibiting normal and tautomer emissions. 2-(2′-Hydroxyphenyl) benzimidazole has been applied as a fluorescent probe in various systems.

Specifications

Sinónimos

2-(1H-benzo[d]imidazol-2-yl)phenol | 2-(2-Benzimidazolyl)phenol | 2-(2-Hydroxyphenyl)-1H-benzimidazole, 95% | 2-(2-Hydroxyphenyl)benzimidazole | CAA96366 | 2-(1H-Benzoimidazol-2-yl)-phenol | DTXSID7062746 | PD158855 | 2-(1H-1, 3-benzodiazol-2-yl)phenol | M

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Grado

Moligand™

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504752863
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752863
• Sonrisas canónicas: C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)O
• IUPAC Name: 2-(1H-benzimidazol-2-yl)phenol
• InChIKey: XWXMGTIHBYFTIE-UHFFFAOYSA-N
• INCHI: 1S/C13H10N2O/c16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13/h1-8,16H,(H,14,15)
• Isómeros SMILES: C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)O
• WGK Alemania: 3
• Peso molecular: 210.23
• Reaxy-Rn: 173016
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=173016&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Phenylimidazoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives Organic anions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - 2-phenylimidazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic anion - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
• 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

Objetivos asociados (humanos)

ACHE Tclin Acetylcholinesterase (18204 Activities)

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METAP1 Tchem Methionine aminopeptidase 1 (614 Activities)

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METAP2 Tchem Methionine aminopeptidase 2 (1512 Activities)

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MCF7 (126967 Activities)

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U-251 (51189 Activities)

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U-87 MG (3946 Activities)

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A-431 (6446 Activities)

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HeLa (62764 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

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Objetivos asociados (no humanos)

map Methionine aminopeptidase (444 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Salmonella typhi (4293 Activities)

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Enterococcus faecalis (29875 Activities)

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Bacillus cereus (7522 Activities)

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Rattus norvegicus (775804 Activities)

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NIH3T3 (5395 Activities)

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LLTC cell line (101 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Punto de fusión (°C): 242.0-246.0 °C
• Peso molecular: 210.230 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.079 Da
• Monoisotopic Mass: 210.079 Da
• Topological Polar Surface Area: 48.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 246.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yuyi Zhang, Yuting Du, Qinghong Yuan, Chao Hang, Xiaolei Zhang, Bingwen Hu, Qingyuan Jin, Mengdi Chen.  (2023)  Unraveling the Strong Fluorescence Enhancement of HPBI Molecules by ZIF-8 Colloidal Suspensions via Adsorption Analysis.  LANGMUIR,      [PMID:36802635] [10.1021/acs.langmuir.2c03163]

2. Yuyi Zhang, Wei Zhang, Yajie Bian, Yiting Liu, Xiaolei Zhang, Mengdi Chen, Bingwen Hu, Qingyuan Jin.  (2022)  Tuning luminescence of the fluorescent molecule 2-(2-hydroxyphenyl)-1H-benzimidazole via zeolitic imidazolate framework-8.  RSC Advances,  12  (15): (9342-9350).  [PMID:35424877] [10.1039/D1RA09446G]