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Substance Name: 2-Pyrimidinamine, N-(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)-
RN: 108635-84-3
InChIKey: ZVBZUPGSMOFWIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H23-F-N6

Molecular Weight

  • 402.4747
 
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Names and Synonyms

Synonym

  • N-(1-(1-((4-Fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)-2-pyrimidinamine

Systematic Name

  • 2-Pyrimidinamine, N-(1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)-

Registry Numbers

CAS Registry Number

  • 108635-84-3

System Generated Number

  • 0108635843

Structure Descriptors

InChI

1S/C23H23FN6/c24-18-8-6-17(7-9-18)16-30-21-5-2-1-4-20(21)28-23(30)29-14-10-19(11-15-29)27-22-25-12-3-13-26-22/h1-9,12-13,19H,10-11,14-16H2,(H,25,26,27)

InChIKey

ZVBZUPGSMOFWIL-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)nc(n2Cc3ccc(cc3)F)N4CCC(CC4)Nc5ncccn5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4820710,