2-Benzyl-1H-benzoimidazole - Moligand™, ≥99% , CAS No.621-72-7

CAS: 621-72-7 Cat. No.: B194244 Molecular Weight: 208.27 EC Number: 210-703-6

GRADE & PURITY Moligand™, ≥99%

Synonyms

A833626 | Bendazol;2-Benzylbenzimidazole | UNII-26601THN1D | DTXSID80211157 | 2-Benzyl-1H-benzoimidazole | Bendazolo | MLS001240258 | Oprea1_667015 | 2-Benzyl-1H-1,3-Benzodiazole | Bendazole | Z55692912 | AB00277645-07 | BDBM50404901 | EINECS 210-703-6 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Bendazol is an effective antihypertensive agent. Bendazol acts directly on vascular smooth muscle to dilate blood vessels and reduce peripheral resistance, thereby improving blood circulation. Bendazol significantly inhibits the development of myopia in rabbit models. Bendazol can regulate kidney function by increasing the activity of NO synthase in the rat model of nephrogenic hypertension. In addition, Bendazol has an effect on sexual behavior and spermatogenesis in male rats

Specifications

Synonyms

A833626 | Bendazol;2-Benzylbenzimidazole | UNII-26601THN1D | DTXSID80211157 | 2-Benzyl-1H-benzoimidazole | Bendazolo | MLS001240258 | Oprea1_667015 | 2-Benzyl-1H-1, 3-Benzodiazole | Bendazole | Z55692912 | AB00277645-07 | BDBM50404901 | EINECS 210-703-6 |

Specifications & Purity

Moligand™, ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ACTIVATOR

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504752267
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752267
• Canonical Smiles: C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2
• IUPAC Name: 2-benzyl-1H-benzimidazole
• InChIKey: YTLQFZVCLXFFRK-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
• Isomeric SMILES: C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2
• Molecular Weight: 208.27
• Reaxy-Rn: 159495
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=159495&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: Benzene and substituted derivatives Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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)

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

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

HepG2 (196354 Activities)

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Cyp2b1 Cytochrome P450 2B1 (145 Activities)

Discover Target: Cyp2b1

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

Plasmodium falciparum (966862 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 208.260 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.1 Da
• Monoisotopic Mass: 208.1 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 223.000
• 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