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A1CTJ

Summary
Name:2-{2-amino-4-[(morpholin-4-yl)methyl]-1H-1,3-benzimidazol-1-yl}-N-(2,4,6-trichlorophenyl)acetamide
Formula:C20 H20 Cl3 N5 O2
Formal charge:0
Formula weight:468.764 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.522-{2-amino-4-[(morpholin-4-yl)methyl]-1H-1,3-benzimidazol-1-yl}-N-(2,4,6-trichlorophenyl)acetamide
OpenEye OEToolkits3.1.0.02-[2-azanyl-4-(morpholin-4-ylmethyl)benzimidazol-1-yl]-~{N}-[2,4,6-tris(chloranyl)phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Clc1cc(Cl)cc(Cl)c1NC(=O)Cn1c2cccc(CN3CCOCC3)c2nc1N
InChIInChI1.06InChI=1S/C20H20Cl3N5O2/c21-13-8-14(22)19(15(23)9-13)25-17(29)11-28-16-3-1-2-12(18(16)26-20(28)24)10-27-4-6-30-7-5-27/h1-3,8-9H,4-7,10-11H2,(H2,24,26)(H,25,29)
InChIKeyInChI1.06SLARJIAESFJVQH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1nc2c(CN3CCOCC3)cccc2n1CC(=O)Nc4c(Cl)cc(Cl)cc4Cl
SMILESCACTVS3.385Nc1nc2c(CN3CCOCC3)cccc2n1CC(=O)Nc4c(Cl)cc(Cl)cc4Cl
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)n(c(n2)N)CC(=O)Nc3c(cc(cc3Cl)Cl)Cl)CN4CCOCC4
SMILESOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)n(c(n2)N)CC(=O)Nc3c(cc(cc3Cl)Cl)Cl)CN4CCOCC4

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PDB entries from 2026-04-08

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