CAS 3575-07-3 | 2,2'-ethane-1,2-diylbis-1H-benzimidazole | CAS Number 3575-07-3

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3575-07-3 | 2,2'-ethane-1,2-diylbis-1H-benzimidazole

CAS No: 3575-07-3 Catalog No: AG00CZRM MDL No:MFCD00087492

Product Description

Catalog Number:

AG00CZRM

Chemical Name:

2,2'-ethane-1,2-diylbis-1H-benzimidazole

CAS Number:

3575-07-3

Molecular Formula:

C16H14N4

Molecular Weight:

262.3092

MDL Number:

MFCD00087492

IUPAC Name:

2-[2-(1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole

InChI:

InChI=1S/C16H14N4/c1-2-6-12-11(5-1)17-15(18-12)9-10-16-19-13-7-3-4-8-14(13)20-16/h1-8H,9-10H2,(H,17,18)(H,19,20)

InChI Key:

IXEHZMUOBBZTNR-UHFFFAOYSA-N

SMILES:

c1ccc2c(c1)[nH]c(n2)CCc1nc2c([nH]1)cccc2

NSC Number:

78566

Properties

Complexity:

302

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.316g/mol

Monoisotopic Mass:

262.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
2,2'-(Ethane-1,2-di-yl)bis-(1H-benzimidazole).	Acta crystallographica. Section E, Structure reports online 20120501
Acetato-chlorido[2,2'-(ethane-1,2-di-yl)di-1H-benzimidazole]-copper(II) monohydrate.	Acta crystallographica. Section E, Structure reports online 20100901