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

XIY

Summary
Name:2-HYDROXYMETHYL-BENZOIMIDAZOLE
Synonyms:1H-BENZIMIDAZOL-2-YLMETHANOL
Formula:C8 H8 N2 O
Formal charge:0
Formula weight:148.162 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.041H-benzimidazol-2-ylmethanol
OpenEye OEToolkits1.6.11H-benzimidazol-2-ylmethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OCc2nc1ccccc1n2
SMILES_CANONICALCACTVS3.352OCc1[nH]c2ccccc2n1
SMILESCACTVS3.352OCc1[nH]c2ccccc2n1
SMILES_CANONICALOpenEye OEToolkits1.6.1c1ccc2c(c1)[nH]c(n2)CO
SMILESOpenEye OEToolkits1.6.1c1ccc2c(c1)[nH]c(n2)CO
InChIInChI1.03InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
InChIKeyInChI1.03IAJLTMBBAVVMQO-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon