2,6-bis[[bis(1H-benzimidazol-2-ylmethyl)amino]methyl]-4-methyl-phenol

Systemtic Name: 2,6-bis[[bis(1H-benzimidazol-2-ylmethyl)amino]methyl]-4-methyl-phenol Openeye Name: 2,6-bis[[bis(1H-benzimidazol-2-ylmethyl)amino]methyl]-4-methyl-phenol CAS Name: 2,6-bis[[bis(1H-benzimidazol-2-ylmethyl)amino]methyl]-4-methylphenol IUPAC Name: 2,6-bis[[bis(1H-benzimidazol-2-ylmethyl)amino]methyl]-4-methylphenol Traditional Name: 2,6-bis[[bis(1H-benzimidazol-2-ylmethyl)amino]methyl]-4-methyl-phenol Formula: C41H38N10O MolecularWeight: 686.80682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CN(CC2=NC3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4)O)CN(CC6=NC7=CC=CC=C7N6)CC8=NC9=CC=CC=C9N8

Isomeric SMILES

CC1=CC(=C(C(=C1)CN(CC2=NC3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4)O)CN(CC6=NC7=CC=CC=C7N6)CC8=NC9=CC=CC=C9N8

InChI

InChI=1S/C41H38N10O/c1-26-18-27(20-50(22-37-42-29-10-2-3-11-30(29)43-37)23-38-44-31-12-4-5-13-32(31)45-38)41(52)28(19-26)21-51(24-39-46-33-14-6-7-15-34(33)47-39)25-40-48-35-16-8-9-17-36(35)49-40/h2-19,52H,20-25H2,1H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)