(6-Methyl-1H-benzo[d]imidazol-2-yl)methanol - ≥95% , CAS No.20034-02-0

CAS: 20034-02-0 Cat. No.: M182543 Molecular Weight: 162.19 EC Number: 844-798-6

GRADE & PURITY ≥95%

Synonyms

2-(Hydroxymethyl)-5-methylbenzimidazole | 6-Methyl-1H-benzimidazole-2-methanol | STK392198 | NCGC00184545-02 | DS-3448 | AKOS000286756 | AT-051/40445805 | SY034036 | A814191 | (6-methyl-1H-benzo[d]imidazol-2-yl)methanol | DTXSID70350448 | SCHEMBL15947556

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-(Hydroxymethyl)-5-methylbenzimidazole | 6-Methyl-1H-benzimidazole-2-methanol | STK392198 | NCGC00184545-02 | DS-3448 | AKOS000286756 | AT-051/40445805 | SY034036 | A814191 | (6-methyl-1H-benzo[d]imidazol-2-yl)methanol | DTXSID70350448 | SCHEMBL15947556

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1=CC2=C(C=C1)N=C(N2)CO
• IUPAC Name: (6-methyl-1H-benzimidazol-2-yl)methanol
• InChIKey: GUVUEQHXSSOYNR-UHFFFAOYSA-N
• INCHI: 1S/C9H10N2O/c1-6-2-3-7-8(4-6)11-9(5-12)10-7/h2-4,12H,5H2,1H3,(H,10,11)
• Isomeric SMILES: CC1=CC2=C(C=C1)N=C(N2)CO
• Molecular Weight: 162.19
• Reaxy-Rn: 26823528
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26823528&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Benzenoids Imidazoles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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

Acinetobacter baumannii (41033 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 162.190 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.079 Da
• Monoisotopic Mass: 162.079 Da
• Topological Polar Surface Area: 48.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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