96S

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Summary

Name:1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one
Formula:C20 H19 Cl2 N5 O2
Formal charge:0
Molecular weight:432.303 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one
OpenEye OEToolkits2.0.61-[(5-chloranyl-1~{H}-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloranyl-4-methoxy-phenyl)methyl]-3-ethyl-imidazol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc4c(CC=3N(C(=O)N(Cc2nc1c(nc(cc1)Cl)n2)C=3)CC)ccc(c4)OC
InChIInChI1.03InChI=1S/C20H19Cl2N5O2/c1-3-27-13(8-12-4-5-14(29-2)9-15(12)21)10-26(20(27)28)11-18-23-16-6-7-17(22)24-19(16)25-18/h4-7,9-10H,3,8,11H2,1-2H3,(H,23,24,25)
InChIKeyInChI1.03RDYREYRDYHMQKI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN1C(=O)N(Cc2[nH]c3ccc(Cl)nc3n2)C=C1Cc4ccc(OC)cc4Cl
SMILESCACTVS3.385CCN1C(=O)N(Cc2[nH]c3ccc(Cl)nc3n2)C=C1Cc4ccc(OC)cc4Cl
SMILES_CANONICALOpenEye OEToolkits2.0.6CCN1C(=CN(C1=O)Cc2[nH]c3ccc(nc3n2)Cl)Cc4ccc(cc4Cl)OC
SMILESOpenEye OEToolkits2.0.6CCN1C(=CN(C1=O)Cc2[nH]c3ccc(nc3n2)Cl)Cc4ccc(cc4Cl)OC