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

OJG

Summary
Name:N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide
Formula:C16 H21 N3 O2
Formal charge:0
Formula weight:287.357 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide
OpenEye OEToolkits2.0.7~{N}-[4-[5-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]-2-phenyl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(CNC(=O)Cc1ccccc1)CCc2ncc(CO)n2
InChIInChI1.03InChI=1S/C16H21N3O2/c20-12-14-11-18-15(19-14)8-4-5-9-17-16(21)10-13-6-2-1-3-7-13/h1-3,6-7,11,20H,4-5,8-10,12H2,(H,17,21)(H,18,19)
InChIKeyInChI1.03NWJHGXOXPDGAJH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCc1[nH]c(CCCCNC(=O)Cc2ccccc2)nc1
SMILESCACTVS3.385OCc1[nH]c(CCCCNC(=O)Cc2ccccc2)nc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon