GRADE & PURITY Analytical standard

Synonyms

2-(2-furyl)-1H-1,3-benzimidazole | CAS-3878-19-1 | CHEBI:81926 | B-33172 | RXD450F6C7 | 1H-Benzimidazole, 2-(2-furanyl)- | 2-(furan-2-yl)-benzimidazole | Fuberidazol | NSC 72670 | 2-(2-Furanyl)-1H-benzimidazole | 2-(furan-2-yl)-1H-benzo[d]imidazole | FUBE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-(2-furyl)-1H-1, 3-benzimidazole | CAS-3878-19-1 | CHEBI:81926 | B-33172 | RXD450F6C7 | 1H-Benzimidazole, 2-(2-furanyl)- | 2-(furan-2-yl)-benzimidazole | Fuberidazol | NSC 72670 | 2-(2-Furanyl)-1H-benzimidazole | 2-(furan-2-yl)-1H-benzo[d]imidazole | FUBE

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3
• IUPAC Name: 2-(furan-2-yl)-1H-benzimidazole
• InChIKey: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
• INCHI: 1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)
• Isómeros SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3
• WGK Alemania: 3
• RTECS: DD9010000
• Número ONU: 2811
• Grupo de embalaje: I
• Peso molecular: 184.19
• Beilstein: 153833
• Reaxy-Rn: 153833
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=153833&ln=

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: Benzenoids Imidazoles Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzenoid - Heteroaromatic compound - Imidazole - Furan - Azole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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: Pesticides

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)

METAP1 Tchem Methionine aminopeptidase 1 (614 Activities)

Discover Target: METAP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

METAP2 Tchem Methionine aminopeptidase 2 (1512 Activities)

Discover Target: METAP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EPHX2 Tchem Epoxide hydratase (3844 Activities)

Discover Target: EPHX2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MCF7 (126967 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

map Methionine aminopeptidase (444 Activities)

Discover Target: map

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 286°C
• Peso molecular: 184.190 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.064 Da
• Monoisotopic Mass: 184.064 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 209.000
• 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. Baoyu Wang, Mingrui Li, Songdang Zhang, Hongguo Wu, Yuhe Liao, Hu Li.  (2023)  Synergistic effect between Co single atoms and nanoparticles enables selective synthesis of bio-based benzimidazoles.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2023.122454]