ethanedioate; 2-(2-fluorophenyl)-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole

Systemtic Name: ethanedioate; 2-(2-fluorophenyl)-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole Openeye Name: 2-(2-fluorophenyl)-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole; oxalate CAS Name: 2-(2-fluorophenyl)-6-[1-imidazolyl(phenyl)methyl]-1H-benzimidazole; oxalate IUPAC Name: 2-(2-fluorophenyl)-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole; oxalate Traditional Name: 2-(2-fluorophenyl)-6-[imidazol-1-yl(phenyl)methyl]-1H-benzimidazole; oxalate Formula: C52H34F2N8O12-6 MolecularWeight: 1000.869566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4F)N5C=CN=C5.C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4F)N5C=CN=C5.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4F)N5C=CN=C5.C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4F)N5C=CN=C5.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C23H17FN4.3C2H2O4/c2*24-19-9-5-4-8-18(19)23-26-20-11-10-17(14-21(20)27-23)22(28-13-12-25-15-28)16-6-2-1-3-7-16;3*3-1(4)2(5)6/h2*1-15,22H,(H,26,27);3*(H,3,4)(H,5,6)/p-6