CAS 5999-14-4 | 2-(1H-BENZIMIDAZOL-2-YLMETHYL)-1H-BENZIMIDAZOLE | CAS Number 5999-14-4

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5999-14-4 | 2-(1H-BENZIMIDAZOL-2-YLMETHYL)-1H-BENZIMIDAZOLE

CAS No: 5999-14-4 Catalog No: AG00EW9R MDL No:MFCD00085631

Product Description

Catalog Number:

AG00EW9R

Chemical Name:

2-(1H-BENZIMIDAZOL-2-YLMETHYL)-1H-BENZIMIDAZOLE

CAS Number:

5999-14-4

Molecular Formula:

C15H12N4

Molecular Weight:

248.2826

MDL Number:

MFCD00085631

IUPAC Name:

2-(1H-benzimidazol-2-ylmethyl)-1H-benzimidazole

InChI:

InChI=1S/C15H12N4/c1-2-6-11-10(5-1)16-14(17-11)9-15-18-12-7-3-4-8-13(12)19-15/h1-8H,9H2,(H,16,17)(H,18,19)

InChI Key:

VPJBLVPIUUNPLB-UHFFFAOYSA-N

SMILES:

c1ccc2c(c1)[nH]c(n2)Cc1nc2c([nH]1)cccc2

NSC Number:

92815

Properties

Complexity:

291

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.289g/mol

Monoisotopic Mass:

248.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Biological activity of bis-benzimidazole derivatives on DNA topoisomerase I and HeLa, MCF7 and A431 cells.	Journal of enzyme inhibition and medicinal chemistry 20090601
Effects of coordinating metal ions on the mediated inhibition of trypsin by bis(benzimidazoles) and related compounds.	Inorganic chemistry 20060626