2-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]-1H-benzimidazole; iron(2+)

Systemtic Name: 2-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]-1H-benzimidazole; iron(2+) Openeye Name: ferrous 2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole CAS Name: 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole; iron(2+) IUPAC Name: 2-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]-1H-benzimidazole; iron(2+) Traditional Name: ferrous 2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole Formula: C38H26FeN10+2 MolecularWeight: 678.52504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4.C1=CC=C2C(=C1)NC(=N2)C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4.[Fe+2]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4.C1=CC=C2C(=C1)NC(=N2)C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4.[Fe+2]

InChI

InChI=1S/2C19H13N5.Fe/c2*1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;/h2*1-11H,(H,21,22)(H,23,24);/q;;+2