CAS 757955-57-0 | 1H-Benzimidazole, 2-[(octahydro-1H-1,4,7-triazonin-1-yl)methyl]- | CAS Number 757955-57-0

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757955-57-0 | 1H-Benzimidazole, 2-[(octahydro-1H-1,4,7-triazonin-1-yl)methyl]-

CAS No: 757955-57-0 Catalog No: AG008PA9 MDL No:

Product Description

Catalog Number:

AG008PA9

Chemical Name:

1H-Benzimidazole, 2-[(octahydro-1H-1,4,7-triazonin-1-yl)methyl]-

CAS Number:

757955-57-0

Molecular Formula:

C14H21N5

Molecular Weight:

259.3500

IUPAC Name:

2-(1,4,7-triazonan-1-ylmethyl)-1H-benzimidazole

InChI:

InChI=1S/C14H21N5/c1-2-4-13-12(3-1)17-14(18-13)11-19-9-7-15-5-6-16-8-10-19/h1-4,15-16H,5-11H2,(H,17,18)

InChI Key:

JPSIAWFSEUYISV-UHFFFAOYSA-N

SMILES:

C1CNCCN(CCN1)Cc1nc2c([nH]1)cccc2

Properties

Complexity:

263

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.18g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.357g/mol

Monoisotopic Mass:

259.18g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
A new strategy to combat Alzheimer's disease. Combining radical-scavenging potential with metal-protein-attenuating ability in one molecule.	Bioorganic & medicinal chemistry letters 20050103
A study on the mimics of Cu-Zn superoxide dismutase with high activity and stability: two copper(II) complexes of 1,4,7-triazacyclononane with benzimidazole groups.	Dalton transactions (Cambridge, England : 2003) 20040807