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

EDH

Summary
Name:N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide
Synonyms:EDHS-206
Formula:C18 H18 N4 O2
Formal charge:0
Formula weight:322.361 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide
OpenEye OEToolkits2.0.6(~{N}3~{E})-~{N}3-(3-propyl-1~{H}-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(c3cccc(C(=O)/N=C1\Nc2c(N1CCC)cccc2)c3)(=O)N
InChIInChI1.03InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)
InChIKeyInChI1.03UOZVVPXKJGOFIG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCN1C(Nc2ccccc12)=NC(=O)c3cccc(c3)C(N)=O
SMILESCACTVS3.385CCCN1C(Nc2ccccc12)=NC(=O)c3cccc(c3)C(N)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CCCN\1c2ccccc2N/C1=N\C(=O)c3cccc(c3)C(=O)N
SMILESOpenEye OEToolkits2.0.6CCCN1c2ccccc2NC1=NC(=O)c3cccc(c3)C(=O)N

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon