WAY-304388 , CAS No.305357-89-5

CAS: 305357-89-5 Cat. No.: W418326 Summenformel: C₂₁H₁₇N₃O Molekulargewicht: 327.4 PubChem CID: 746661

Synonyms

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide | N-(3-(1H-benzo[d]imidazol-2-yl)phenyl)-3-methylbenzamide | N-[3-(1H-1,3-BENZODIAZOL-2-YL)PHENYL]-3-METHYLBENZAMIDE

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Inhibitors of Chlamydia pneumoniae

Specifications

Synonyme

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide | N-(3-(1H-benzo[d]imidazol-2-yl)phenyl)-3-methylbenzamide | N-[3-(1H-1,3-BENZODIAZOL-2-YL)PHENYL]-3-METHYLBENZAMIDE

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

4.541

HBD-Zahl

2

Rotationsfähige Bindung

3

Namen und Kennungen

Pubchem Sid

488191420

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191420

Kanonisches Lächeln

CC1=CC(=CC=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3

IUPAC Name

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide

InChIKey

BFAZKDZNMRHORZ-UHFFFAOYSA-N

INCHI

1S/C21H17N3O/c1-14-6-4-8-16(12-14)21(25)22-17-9-5-7-15(13-17)20-23-18-10-2-3-11-19(18)24-20/h2-13H,1H3,(H,22,25)(H,23,24)

Isomere SMILES

CC1=CC(=CC=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3

PubChem CID

746661

Molekulargewicht

327.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Benzanilides Phenylimidazoles m-Toluamides Benzamides Benzoyl derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Phenylbenzimidazole - Aromatic anilide - 2-phenylimidazole - Benzamide - Benzoic acid or derivatives - M-toluamide - Toluamide - Benzoyl - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Chlamydia pneumoniae (241 Activities)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Leishmania donovani (89745 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 327.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 327.137 Da
• Monoisotopic Mass: 327.137 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 468.000
• 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