2,6-bis[2-azanyl-1,3-bis(benzimidazol-1-yl)propan-2-yl]-4-methyl-phenol

Systemtic Name: 2,6-bis[2-azanyl-1,3-bis(benzimidazol-1-yl)propan-2-yl]-4-methyl-phenol Openeye Name: 2,6-bis[1-amino-2-(benzimidazol-1-yl)-1-(benzimidazol-1-ylmethyl)ethyl]-4-methyl-phenol CAS Name: 2,6-bis[2-amino-1,3-bis(1-benzimidazolyl)propan-2-yl]-4-methylphenol IUPAC Name: 2,6-bis[2-amino-1,3-bis(benzimidazol-1-yl)propan-2-yl]-4-methylphenol Traditional Name: 2,6-bis[1-amino-2-(benzimidazol-1-yl)-1-(benzimidazol-1-ylmethyl)ethyl]-4-methyl-phenol Formula: C41H38N10O MolecularWeight: 686.80682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(CN2C=NC3=CC=CC=C32)(CN4C=NC5=CC=CC=C54)N)O)C(CN6C=NC7=CC=CC=C76)(CN8C=NC9=CC=CC=C98)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C(CN2C=NC3=CC=CC=C32)(CN4C=NC5=CC=CC=C54)N)O)C(CN6C=NC7=CC=CC=C76)(CN8C=NC9=CC=CC=C98)N

InChI

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