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111397-62-7 | 3,5-Bis(1H-benzo[d]imidazol-2-yl);pyridine
CAS No: 111397-62-7 Catalog No: AG007AL0 MDL No:MFCD12545922
Product Description
Catalog Number:
AG007AL0
Chemical Name:
3,5-Bis(1H-benzo[d]imidazol-2-yl);pyridine
CAS Number:
111397-62-7
Molecular Formula:
C19H13N5
Molecular Weight:
311.3400
MDL Number:
MFCD12545922
IUPAC Name:
2-[5-(1H-benzimidazol-2-yl)pyridin-3-yl]-1H-benzimidazole
InChI:
InChI=1S/C19H13N5/c1-2-6-15-14(5-1)21-18(22-15)12-9-13(11-20-10-12)19-23-16-7-3-4-8-17(16)24-19/h1-11H,(H,21,22)(H,23,24)
InChI Key:
XATQTLFKVWKYJJ-UHFFFAOYSA-N
SMILES:
n1cc(cc(c1)c1nc2c([nH]1)cccc2)c1nc2c([nH]1)cccc2
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.348g/mol
Monoisotopic Mass:
311.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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