2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 2-[4-(3-pyrrolidinyl)phenyl]-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid Formula: C22H20F6N4O5 MolecularWeight: 534.408419

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C2=CC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CNCC1C2=CC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H18N4O.2C2HF3O2/c19-17(23)14-2-1-3-15-16(14)22-18(21-15)12-6-4-11(5-7-12)13-8-9-20-10-13;2*3-2(4,5)1(6)7/h1-7,13,20H,8-10H2,(H2,19,23)(H,21,22);2*(H,6,7)