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SummaryGeometryRelated PDB entries

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Summary
Name:1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole
Formula:C19 H16 Cl N3 O
Formal charge:0
Formula weight:337.803 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole
OpenEye OEToolkits1.7.64-[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1)Cn2c4c(nc2)cc(c3c(onc3C)C)cc4
InChIInChI1.03InChI=1S/C19H16ClN3O/c1-12-19(13(2)24-22-12)15-5-8-18-17(9-15)21-11-23(18)10-14-3-6-16(20)7-4-14/h3-9,11H,10H2,1-2H3
InChIKeyInChI1.03WPKUYRYYDUHEAQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1onc(C)c1c2ccc3n(Cc4ccc(Cl)cc4)cnc3c2
SMILESCACTVS3.385Cc1onc(C)c1c2ccc3n(Cc4ccc(Cl)cc4)cnc3c2
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl
SMILESOpenEye OEToolkits1.7.6Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl

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PDB entries from 2024-07-10

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