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

1JT

Summary
Name:1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
Formula:C20 H22 N2 O
Formal charge:0
Formula weight:306.401 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
OpenEye OEToolkits1.7.63-[(4-methoxy-3-methyl-phenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n3c1c(cc2c(c1)CCCC2)n(c3)Cc4ccc(OC)c(c4)C
InChIInChI1.03InChI=1S/C20H22N2O/c1-14-9-15(7-8-20(14)23-2)12-22-13-21-18-10-16-5-3-4-6-17(16)11-19(18)22/h7-11,13H,3-6,12H2,1-2H3
InChIKeyInChI1.03BBFOREFQNPCWBB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1ccc(Cn2cnc3cc4CCCCc4cc23)cc1C
SMILESCACTVS3.370COc1ccc(Cn2cnc3cc4CCCCc4cc23)cc1C
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4
SMILESOpenEye OEToolkits1.7.6Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4

224931

PDB entries from 2024-09-11

PDB statisticsPDBj update infoContact PDBjnumon