N,N,N',N'-tetrakis[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine

Systemtic Name: N,N,N',N'-tetrakis[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine Openeye Name: N,N,N',N'-tetrakis[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine CAS Name: N,N,N',N'-tetrakis[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine IUPAC Name: N,N,N',N'-tetrakis[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine Traditional Name: 2-[bis[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]amino]ethyl-bis[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]amine Formula: C42H48N10 MolecularWeight: 692.89752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)CN(CCN(CC3=NC4=C(N3)C=C(C(=C4)C)C)CC5=NC6=C(N5)C=C(C(=C6)C)C)CC7=NC8=C(N7)C=C(C(=C8)C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)CN(CCN(CC3=NC4=C(N3)C=C(C(=C4)C)C)CC5=NC6=C(N5)C=C(C(=C6)C)C)CC7=NC8=C(N7)C=C(C(=C8)C)C

InChI

InChI=1S/C42H48N10/c1-23-11-31-32(12-24(23)2)44-39(43-31)19-51(20-40-45-33-13-25(3)26(4)14-34(33)46-40)9-10-52(21-41-47-35-15-27(5)28(6)16-36(35)48-41)22-42-49-37-17-29(7)30(8)18-38(37)50-42/h11-18H,9-10,19-22H2,1-8H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)