1,3-bis[(3,5-diethylphenoxy)methyl]-5-(phenylmethyl)-2H-benzimidazol-2-amine iodide

Systemtic Name: 1,3-bis[(3,5-diethylphenoxy)methyl]-5-(phenylmethyl)-2H-benzimidazol-2-amine iodide Openeye Name: 5-benzyl-1,3-bis[(3,5-diethylphenoxy)methyl]-2H-benzimidazol-2-amine iodide CAS Name: 1,3-bis[(3,5-diethylphenoxy)methyl]-5-(phenylmethyl)-2H-benzimidazol-2-amine iodide IUPAC Name: 5-benzyl-1,3-bis[(3,5-diethylphenoxy)methyl]-2H-benzimidazol-2-amine iodide Traditional Name: [5-benzyl-1,3-bis[(3,5-diethylphenoxy)methyl]-2H-benzimidazol-2-yl]amine iodide Formula: C36H43IN3O2- MolecularWeight: 676.64999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OCN2C(N(C3=C2C=CC(=C3)CC4=CC=CC=C4)COC5=CC(=CC(=C5)CC)CC)N)CC.[I-]

Isomeric SMILES

CCC1=CC(=CC(=C1)OCN2C(N(C3=C2C=CC(=C3)CC4=CC=CC=C4)COC5=CC(=CC(=C5)CC)CC)N)CC.[I-]

InChI

InChI=1S/C36H43N3O2.HI/c1-5-26-16-27(6-2)20-32(19-26)40-24-38-34-15-14-31(18-30-12-10-9-11-13-30)23-35(34)39(36(38)37)25-41-33-21-28(7-3)17-29(8-4)22-33;/h9-17,19-23,36H,5-8,18,24-25,37H2,1-4H3;1H/p-1