CAS 1047-63-8 | 1,4-Bis(1H-benzo[d]imidazol-2-yl);benzene | CAS Number 1047-63-8

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1047-63-8 | 1,4-Bis(1H-benzo[d]imidazol-2-yl);benzene

CAS No: 1047-63-8 Catalog No: AG007GML MDL No:MFCD00387591

Product Description

Catalog Number:

AG007GML

Chemical Name:

1,4-Bis(1H-benzo[d]imidazol-2-yl);benzene

CAS Number:

1047-63-8

Molecular Formula:

C20H14N4

Molecular Weight:

310.3520

MDL Number:

MFCD00387591

IUPAC Name:

2-[4-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole

InChI:

InChI=1S/C20H14N4/c1-2-6-16-15(5-1)21-19(22-16)13-9-11-14(12-10-13)20-23-17-7-3-4-8-18(17)24-20/h1-12H,(H,21,22)(H,23,24)

InChI Key:

WHEVDDQAPKQQAV-UHFFFAOYSA-N

SMILES:

c1ccc2c(c1)[nH]c(n2)c1ccc(cc1)c1nc2c([nH]1)cccc2

Properties

Complexity:

393

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.36g/mol

Monoisotopic Mass:

310.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5

Literature

Title	Journal
1,4-Bis(1H-benzimidazol-2-yl)benzene methanol monosolvate.	Acta crystallographica. Section E, Structure reports online 20110101
Blue to green shifted fluorescence in inter- and intramolecular hydrogen bonded di(benzimidazol-2-yl)benzene.	Chemical communications (Cambridge, England) 20090807
1,4-Bis(benzimidazol-2-yl)benzene dimethyl-formamide disolvate.	Acta crystallographica. Section E, Structure reports online 20090301