[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]boronic acid

Systemtic Name: [4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]boronic acid Openeye Name: [4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]boronic acid CAS Name: [4-[[4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl]methyl]phenyl]boronic acid IUPAC Name: [4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]boronic acid Traditional Name: [4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]boronic acid Formula: C26H27BN4O2 MolecularWeight: 438.32918

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CN2C3=CC(=CC(=C3N=C2CCC)C)C4=NC5=CC=CC=C5N4C)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CN2C3=CC(=CC(=C3N=C2CCC)C)C4=NC5=CC=CC=C5N4C)(O)O

InChI

InChI=1S/C26H27BN4O2/c1-4-7-24-29-25-17(2)14-19(26-28-21-8-5-6-9-22(21)30(26)3)15-23(25)31(24)16-18-10-12-20(13-11-18)27(32)33/h5-6,8-15,32-33H,4,7,16H2,1-3H3