2-Hydroxy-5-methoxybenzimidazole - ≥97% , CAS No.2080-75-3

CAS: 2080-75-3 Cat. No.: H340401 Summenformel: C₈H₈N₂O₂ Molekulargewicht: 164.16 Beilstein Registry Number: 141043 EG-Nummer: 980-998-0

GRADE & PURITY ≥97%

Synonyms

2-Benzimidazolinone, 5-methoxy- | W-201827 | 5-Methoxy-1H-benzo[d]imidazol-2(3H)-one | 5-METHOXY-BENZIMIDAZOLIN-2-ONE | 5-Methoxybenzimidazolin-2-one | 5-METHOXY-2-BENZIMIDAZOLINONE | AKOS009157990 | FT-0728594 | 2-Hydroxy-5-methoxybenzimidazole | 5-METHO

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-Benzimidazolinone, 5-methoxy- | W-201827 | 5-Methoxy-1H-benzo[d]imidazol-2(3H)-one | 5-METHOXY-BENZIMIDAZOLIN-2-ONE | 5-Methoxybenzimidazolin-2-one | 5-METHOXY-2-BENZIMIDAZOLINONE | AKOS009157990 | FT-0728594 | 2-Hydroxy-5-methoxybenzimidazole | 5-METHO

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528757553

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757553

Kanonisches Lächeln

COC1=CC2=C(C=C1)NC(=O)N2

IUPAC Name

5-methoxy-1,3-dihydrobenzimidazol-2-one

InChIKey

AUPLVAKFTYFHTA-UHFFFAOYSA-N

INCHI

1S/C8H8N2O2/c1-12-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)

Isomere SMILES

COC1=CC2=C(C=C1)NC(=O)N2

Molekulargewicht

164.16

Beilstein

141043

Reaxy-Rn

141043

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141043&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Anisoles Alkyl aryl ethers Imidazoles Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Anisole - Alkyl aryl ether - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Urea - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Acetone, DMSO, Ethanol, Methanol and Hot Water
• Schmelzpunkt (°C): 255 (dec.)
• Molekulargewicht: 164.160 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.059 Da
• Monoisotopic Mass: 164.059 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 195.000
• 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