N-tert-butyl-2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-tert-butyl-2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-tert-butyl-2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: N-tert-butyl-2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-tert-butyl-2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-tert-butyl-2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxamide Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3C4=NC=CN4

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3C4=NC=CN4

InChI

InChI=1S/C21H21N5O/c1-21(2,3)26-20(27)13-8-9-16-17(12-13)25-19(24-16)15-7-5-4-6-14(15)18-22-10-11-23-18/h4-12H,1-3H3,(H,22,23)(H,24,25)(H,26,27)