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IBY

Summary
Name:2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoline
Formula:C21 H19 N3
Formal charge:0
Formula weight:313.396 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoline
OpenEye OEToolkits2.0.72-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]quinoline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cn1cc(nc1CCc1ccc2ccccc2n1)c1ccccc1
InChIInChI1.03InChI=1S/C21H19N3/c1-24-15-20(16-7-3-2-4-8-16)23-21(24)14-13-18-12-11-17-9-5-6-10-19(17)22-18/h2-12,15H,13-14H2,1H3
InChIKeyInChI1.03IQXLHLPDOHCJMU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(nc1CCc2ccc3ccccc3n2)c4ccccc4
SMILESCACTVS3.385Cn1cc(nc1CCc2ccc3ccccc3n2)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cn1cc(nc1CCc2ccc3ccccc3n2)c4ccccc4
SMILESOpenEye OEToolkits2.0.7Cn1cc(nc1CCc2ccc3ccccc3n2)c4ccccc4

221371

PDB entries from 2024-06-19

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