5-Amino-6-methyl-1H-benzo[d]imidazol-2(3H)-one - ≥95% , CAS No.67014-36-2

CAS: 67014-36-2 Cat. No.: A194501 Peso molecular: 163.18 Número EC: 428-410-9

GRADE & PURITY ≥95%

Synonyms

67014-36-2|5-Amino-6-methyl benzimidazolone|5-Amino-6-methyl-1H-benzo[d]imidazol-2(3H)-one|5-Amino-6-methyl-1,3-dihydrobenzoimidazol-2-one|5-Amino-6-methyl-1,3-dihydro-benzoimidazol-2-one|5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one|5-amino-6-methyl-1,3

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

67014-36-2 | 5-Amino-6-methyl benzimidazolone | 5-Amino-6-methyl-1H-benzo[d]imidazol-2(3H)-one | 5-Amino-6-methyl-1, 3-dihydrobenzoimidazol-2-one | 5-Amino-6-methyl-1, 3-dihydro-benzoimidazol-2-one | 5-amino-6-methyl-1, 3-dihydrobenzimidazol-2-one | 5-amino-6-methyl-1, 3

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504758570
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758570
• Sonrisas canónicas: CC1=CC2=C(C=C1N)NC(=O)N2
• IUPAC Name: 5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one
• InChIKey: ZCXIPVIGYBHUTQ-UHFFFAOYSA-N
• INCHI: 1S/C8H9N3O/c1-4-2-6-7(3-5(4)9)11-8(12)10-6/h2-3H,9H2,1H3,(H2,10,11,12)
• Isómeros SMILES: CC1=CC2=C(C=C1N)NC(=O)N2
• Peso molecular: 163.18
• Reaxy-Rn: 150940
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=150940&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 Ureas Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Urea - Azacycle - Organic oxide - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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

• Peso molecular: 163.180 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.075 Da
• Monoisotopic Mass: 163.075 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 206.000
• 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. Yuanyuan Cheng, Qingzhe Zhang, Jianlong Wang, Lei Zhao, Huan Liu, Ibrahim A. Darwish, Daohong Zhang.  (2026)  Nanocaterpillar-like Gold Nanorods as a Photothermal Funnel for Ultrasensitive Lateral Flow Assays.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2026.139814]