2-Hydroxybenzimidazole - ≥98% , CAS No.615-16-7

CAS: 615-16-7 Cat. No.: H135655 Molecular Weight: 134.14 Beilstein Registry Number: 24116 EC Number: 210-412-4

GRADE & PURITY ≥98%

Synonyms

1,3-dihydro-2h-benzimidazole-2-one | 2-.alpha.-Hydroxybenzimidazole | GF-0113 | NSC 10383 | o-Phenyleneurea | Urea,N'-(1,2-phenylene)- | WLN: T56 BNVNJ | EN300-17387 | Z56924489 | BB 0242764 | HMS1783E17 | 1H-Benzimidazol-2-ol | 2,3-dihydro-1H-benzimidazo

Storage

Room temperature,Cool

Shipped In

Normal

Overview

A metabolite of the neuroleptic,Droperidol.

Specifications

Synonyms

1,3-dihydro-2h-benzimidazole-2-one | 2-.alpha.-Hydroxybenzimidazole | GF-0113 | NSC 10383 | o-Phenyleneurea | Urea,N'-(1,2-phenylene)- | WLN: T56 BNVNJ | EN300-17387 | Z56924489 | BB 0242764 | HMS1783E17 | 1H-Benzimidazol-2-ol | 2,3-dihydro-1H-benzimidazo

Specifications & Purity

≥98%

Storage

Room temperature,Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181500
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181500
• Canonical Smiles: C1=CC=C2C(=C1)NC(=O)N2
• IUPAC Name: 1,3-dihydrobenzimidazol-2-one
• InChIKey: SILNNFMWIMZVEQ-UHFFFAOYSA-N
• INCHI: 1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
• Isomeric SMILES: C1=CC=C2C(=C1)NC(=O)N2
• WGK Germany: 1
• RTECS: DE1625000
• Molecular Weight: 134.14
• Beilstein: 24116
• Reaxy-Rn: 119866
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119866&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 Ureas Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Urea - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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(Human)

QPCT Tchem Glutaminyl-peptide cyclotransferase (1121 Activities)

Discover Target: QPCT

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 Alcohol
• Sensitivity: Heat sensitive
• Melt Point(°C): 314-316℃
• Molecular Weight: 134.140 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 134.048 Da
• Monoisotopic Mass: 134.048 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 142.000
• 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. Abbas Touqeer, Mubeen Muhammad, Razzaq Abdul, Javed Umair, Raza Muneeb, Tabish Mohammad, Alotaibi Khalid M., Yasin Ghulam, Li Hui.  (2025)  RustNet: an automated approach for rust detection and quantification in steel structures using feature encoding and multilayer attention networks.  Archives of Civil and Mechanical Engineering,  25  (5): (1-25).  [PMID:] [10.1007/s43452-025-01312-5]

3. Chaochao Fan, Huanhuan Duan, Yue Wang, Wei Zuo, Wei Sun, Chuandong Jia.  (2025)  A hydrogen-bonded organic framework directed by organophosphate and 2-benzimidazolone.  POLYHEDRON,      [PMID:] [10.1016/j.poly.2025.117759]

4. Cao Yong, Tang Sisi, Kong Weili, Wang Xinyu, He Xiaomin, Li Haibin, Jin Jie, Zhang Jun.  (2025)  Commercialized Cyclic (thio)urea for ring-opening polymerization of rac-lactide and ε-caprolactone.  JOURNAL OF POLYMER RESEARCH,  32  (11): (1-8).  [PMID:] [10.1007/s10965-025-04640-5]