N-[4-(2-Benzimidazolyl)phenyl]maleimide - ≥98%(HPLC)(T) , CAS No.27030-97-3

CAS: 27030-97-3 Cat. No.: N159384 Molecular Weight: 289.29 EC Number: 248-173-3

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

N-[4-(2-Benzimidazolyl)phenyl]maleimide | SCHEMBL179732 | EINECS 248-173-3 | 1070424-33-7 | MFCD00042767 | FT-0706059 | B1149 | CBA03097 | Q27258895 | 1H-Pyrrole-2,5-dione, 1-(4-(1H-benzimidazol-2-yl)phenyl)- | N-(p-(2-Benzimidazolyl)phenyl)maleimide | 1-

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

N-[4-(2-Benzimidazolyl)phenyl]maleimide | SCHEMBL179732 | EINECS 248-173-3 | 1070424-33-7 | MFCD00042767 | FT-0706059 | B1149 | CBA03097 | Q27258895 | 1H-Pyrrole-2, 5-dione, 1-(4-(1H-benzimidazol-2-yl)phenyl)- | N-(p-(2-Benzimidazolyl)phenyl)maleimide | 1-

Specifications & Purity

≥98%(HPLC)(T)

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)(T)

Names and Identifiers

• Pubchem Sid: 488187562
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187562
• Canonical Smiles: C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N4C(=O)C=CC4=O
• IUPAC Name: 1-[4-(1H-benzimidazol-2-yl)phenyl]pyrrole-2,5-dione
• InChIKey: NZDOXVCRXDAVII-UHFFFAOYSA-N
• INCHI: 1S/C17H11N3O2/c21-15-9-10-16(22)20(15)12-7-5-11(6-8-12)17-18-13-3-1-2-4-14(13)19-17/h1-10H,(H,18,19)
• Isomeric SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N4C(=O)C=CC4=O
• Molecular Weight: 289.29
• Reaxy-Rn: 755407
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=755407&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Phenylpyrrolines Phenylimidazoles Maleimides N-substituted carboxylic acid imides Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - 2-phenylimidazole - 1-phenylpyrroline - Maleimide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Azole - Carboxylic acid imide - Dicarboximide - Imidazole - Pyrrole - Pyrroline - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
• 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

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Moisture Sensitive
• Melt Point(°C): 247°C(lit.)
• Molecular Weight: 289.290 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 289.085 Da
• Monoisotopic Mass: 289.085 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 478.000
• 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