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Summary

Name:N-[2-(1H-indol-3-ylmethyl)-1H-benzimidazol-5-yl]-L-prolinamide
Formula:C21 H21 N5 O
Formal charge:0
Molecular weight:359.424 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(1H-indol-3-ylmethyl)-1H-benzimidazol-5-yl]-L-prolinamide
OpenEye OEToolkits1.7.6(2S)-N-[2-(1H-indol-3-ylmethyl)-1H-benzimidazol-5-yl]pyrrolidine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc2ccc1nc(nc1c2)Cc4c3ccccc3nc4)C5NCCC5
InChIInChI1.03InChI=1S/C21H21N5O/c27-21(18-6-3-9-22-18)24-14-7-8-17-19(11-14)26-20(25-17)10-13-12-23-16-5-2-1-4-15(13)16/h1-2,4-5,7-8,11-12,18,22-23H,3,6,9-10H2,(H,24,27)(H,25,26)/t18-/m0/s1
InChIKeyInChI1.03FSUGJBWDOIVSMH-SFHVURJKSA-N
SMILES_CANONICALCACTVS3.370O=C(Nc1ccc2[nH]c(Cc3c[nH]c4ccccc34)nc2c1)[C@@H]5CCCN5
SMILESCACTVS3.370O=C(Nc1ccc2[nH]c(Cc3c[nH]c4ccccc34)nc2c1)[CH]5CCCN5
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccc(cc4n3)NC(=O)[C@@H]5CCCN5
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccc(cc4n3)NC(=O)C5CCCN5