2-Benzimidazolemethanol - ≥97% , CAS No.4856-97-7

CAS: 4856-97-7 Cat. No.: B101392 Molecular Weight: 148.16 Beilstein Registry Number: 23(5)11,325 EC Number: 225-451-2

GRADE & PURITY ≥97%

Synonyms

BB 0219466 | F1011-0474 | FT-0608821 | Piperidine, 4-(1-pyrrolidinyl)- | 2-Benzimidazolemethanol | Q27467558 | Q-101100 | AM20050322 | 2-Hydroxymethyl-Benzoimidazole | AE-641/00568014 | m-Methoxyphenylethanol | AB01097985-03 | 9SZ34H8DY7 | J-800153 | NCGC

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BB 0219466 | F1011-0474 | FT-0608821 | Piperidine, 4-(1-pyrrolidinyl)- | 2-Benzimidazolemethanol | Q27467558 | Q-101100 | AM20050322 | 2-Hydroxymethyl-Benzoimidazole | AE-641/00568014 | m-Methoxyphenylethanol | AB01097985-03 | 9SZ34H8DY7 | J-800153 | NCGC

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185595
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185595
• Canonical Smiles: C1=CC=C2C(=C1)NC(=N2)CO
• IUPAC Name: 1H-benzimidazol-2-ylmethanol
• InChIKey: IAJLTMBBAVVMQO-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
• Isomeric SMILES: C1=CC=C2C(=C1)NC(=N2)CO
• WGK Germany: 3
• Molecular Weight: 148.16
• Beilstein: 23(5)11,325
• Reaxy-Rn: 121263
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121263&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)

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Melt Point(°C): 171-175°C
• Molecular Weight: 148.160 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 148.064 Da
• Monoisotopic Mass: 148.064 Da
• Topological Polar Surface Area: 48.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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

References

1. Jie Gao, Haizhuo Mao, Hua Jin, Chen Chen, Armin Feldhoff, Yanshuo Li.  (2020)  Functionalized ZIF-7/Pebax® 2533 mixed matrix membranes for CO2/N2 separation.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2020.110030]

2. Jia Fu, Wei Zhao, Na Liang, Shaoping Sun.  (2025)  Functionalized hydroxypropyl-β-cyclodextrin inclusion complex for combined tumor therapy through intelligent delivery of paclitaxel and polarization of M2-like tumor associated macrophages.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:40158248] [10.1016/j.colsurfb.2025.114654]

3. Yiran Dou, Zhi Li, Chenhuan Wang, Qianqian Wang, Zhi Wang, Qiuhua Wu, Chun Wang.  (2024)  Hydroxyl-functionalized cationic porous organic polymers for efficient enrichment and detection of phenolic endocrine disrupting chemicals in water and snapper.  FOOD CHEMISTRY,      [PMID:39067381] [10.1016/j.foodchem.2024.140587]