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223467-24-1 | 2,2'-(1H-Pyrazole-3,5-diyl)bis(1H-benzo[d]imidazole)
CAS No: 223467-24-1 Catalog No: AG007OPX MDL No:MFCD23135294
Product Description
Catalog Number:
AG007OPX
Chemical Name:
2,2'-(1H-Pyrazole-3,5-diyl)bis(1H-benzo[d]imidazole)
CAS Number:
223467-24-1
Molecular Formula:
C17H12N6
Molecular Weight:
300.3174
MDL Number:
MFCD23135294
IUPAC Name:
2-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]-1H-benzimidazole
InChI:
InChI=1S/C17H12N6/c1-2-6-11-10(5-1)18-16(19-11)14-9-15(23-22-14)17-20-12-7-3-4-8-13(12)21-17/h1-9H,(H,18,19)(H,20,21)(H,22,23)
InChI Key:
NFQGJTRVMWTFKL-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc([nH]2)c1n[nH]c(c1)c1[nH]c2c(n1)cccc2
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.112g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.325g/mol
Monoisotopic Mass:
300.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Pentanuclear and heptanuclear helicates by self-assembly of d10 metal ions and a rigid aromatic bis-bidentate chelator. | Inorganic chemistry 20080818 |
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