Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

BZC

Summary
Name:2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE
Formula:C15 H13 N3 O2
Formal charge:0
Formula weight:267.283 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide
OpenEye OEToolkits1.5.02-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c3cccc1c3nc(n1)c2cccc(OC)c2)N
SMILES_CANONICALCACTVS3.341COc1cccc(c1)c2[nH]c3cccc(C(N)=O)c3n2
SMILESCACTVS3.341COc1cccc(c1)c2[nH]c3cccc(C(N)=O)c3n2
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N
SMILESOpenEye OEToolkits1.5.0COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N
InChIInChI1.03InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKeyInChI1.03NVVWVYYHTKCIAE-UHFFFAOYSA-N

227344

건을2024-11-13부터공개중

PDB statisticsPDBj update infoContact PDBjnumon