Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

RHT

Summary
Name:4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
Formula:C13 H13 N5
Formal charge:0
Formula weight:239.276 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H13N5/c1-18-7-16-10-3-2-8(4-11(10)18)9-5-12(14)17-13(15)6-9/h2-7H,1H3,(H4,14,15,17)
InChIKeyInChI1.03SOLATORCLYYKKR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1cnc2ccc(cc12)c3cc(N)nc(N)c3
SMILESCACTVS3.385Cn1cnc2ccc(cc12)c3cc(N)nc(N)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N
SMILESOpenEye OEToolkits2.0.7Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon