2-(2-Aminophenyl)-1H-benzimidazole - ≥98% , CAS No.5805-39-0

CAS: 5805-39-0 Cat. No.: A122456 Peso molecular: 209.25 Número EC: 227-361-9

GRADE & PURITY ≥98%

Synonyms

2-Methyl-4-methoxymethyl-5-cyano-6-hydroxypyridine | 68CGQ2L75V | 2-(2-Aminophenyl)-1H-benzimidazole | 2-[O-Aminophenyl]benzimidazole | EN300-16805 | 2-(1H-1,3-benzodiazol-2-yl)aniline | A847759 | 2-(2-Aminophenyl)-1H-benzimidazole, 97% | Maybridge1_00366

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Methyl-4-methoxymethyl-5-cyano-6-hydroxypyridine | 68CGQ2L75V | 2-(2-Aminophenyl)-1H-benzimidazole | 2-[O-Aminophenyl]benzimidazole | EN300-16805 | 2-(1H-1, 3-benzodiazol-2-yl)aniline | A847759 | 2-(2-Aminophenyl)-1H-benzimidazole, 97% | Maybridge1_00366

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755424
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755424
• Sonrisas canónicas: C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)N
• IUPAC Name: 2-(1H-benzimidazol-2-yl)aniline
• InChIKey: YWNXHTNWOQHFRL-UHFFFAOYSA-N
• INCHI: 1S/C13H11N3/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2,(H,15,16)
• Isómeros SMILES: C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)N
• WGK Alemania: 3
• Peso molecular: 209.25
• Reaxy-Rn: 173018
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=173018&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 Aniline and substituted anilines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - 2-phenylimidazole - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Primary amine - Amine - 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)

GLA Tclin Alpha-galactosidase A (5444 Activities)

Discover Target: GLA

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

Discover Target: BRCA1

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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FTL Ferritin light chain (43324 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 211-215°C
• Peso molecular: 209.250 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.095 Da
• Monoisotopic Mass: 209.095 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 243.000
• 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. Hou Cong Li, Ming Zhu Wang, Ye Fan Zheng, Ning An, Min Hou, Jing Hu, Wen Ge Li.  (2025)  Synthesis, crystal structures, and anticancer studies of Ni(II), Co(III), and Zn(II) complexes derived from chlorinated-2-(2-aminophenyl)-1H-benzimidazole Schiff base.  JOURNAL OF COORDINATION CHEMISTRY,      [PMID:] [10.1080/00958972.2025.2456700]