N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-imidazol-1-yl-propan-1-amine; ethanedioic acid

Systemtic Name: N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-imidazol-1-yl-propan-1-amine; ethanedioic acid Openeye Name: N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-imidazol-1-yl-propan-1-amine; oxalic acid CAS Name: N-[[4-(1-benzimidazolyl)phenyl]methyl]-3-(1-imidazolyl)-1-propanamine; oxalic acid IUPAC Name: N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-imidazol-1-ylpropan-1-amine; oxalic acid Traditional Name: [4-(benzimidazol-1-yl)benzyl]-(3-imidazol-1-ylpropyl)amine; oxalic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)CNCCCN4C=CN=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)CNCCCN4C=CN=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H21N5.C2H2O4/c1-2-5-20-19(4-1)23-16-25(20)18-8-6-17(7-9-18)14-21-10-3-12-24-13-11-22-15-24;3-1(4)2(5)6/h1-2,4-9,11,13,15-16,21H,3,10,12,14H2;(H,3,4)(H,5,6)