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

Systemtic Name: 2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[4-(3-pyridyl)phenyl]-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 2-[4-(3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-[4-(3-pyridyl)phenyl]-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid Formula: C21H15F3N4O3 MolecularWeight: 428.36401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C4=CN=CC=C4)C(=O)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC(=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C4=CN=CC=C4)C(=O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H14N4O.C2HF3O2/c20-18(24)15-4-1-5-16-17(15)23-19(22-16)13-8-6-12(7-9-13)14-3-2-10-21-11-14;3-2(4,5)1(6)7/h1-11H,(H2,20,24)(H,22,23);(H,6,7)