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SummaryGeometryRelated PDB entries

FV4

Summary
Name:6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
Formula:C20 H22 Cl F N4
Formal charge:0
Formula weight:372.867 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
OpenEye OEToolkits2.0.66-chloranyl-1-[(4-fluoranyl-3,5-dimethyl-phenyl)methyl]-2-piperazin-1-yl-benzimidazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n3c1ccc(cc1n(Cc2cc(c(c(C)c2)F)C)c3N4CCNCC4)Cl
InChIInChI1.03InChI=1S/C20H22ClFN4/c1-13-9-15(10-14(2)19(13)22)12-26-18-11-16(21)3-4-17(18)24-20(26)25-7-5-23-6-8-25/h3-4,9-11,23H,5-8,12H2,1-2H3
InChIKeyInChI1.03HQRYJQRNCCMWFK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc(C)c1F
SMILESCACTVS3.385Cc1cc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc(C)c1F
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl
SMILESOpenEye OEToolkits2.0.6Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl

218500

PDB entries from 2024-04-17

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