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85330-44-5 | 1H-Benzimidazole, 2-(2-pyridinylmethyl)-
CAS No: 85330-44-5 Catalog No: AG004LAK MDL No:
Product Description
Catalog Number:
AG004LAK
Chemical Name:
1H-Benzimidazole, 2-(2-pyridinylmethyl)-
CAS Number:
85330-44-5
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
IUPAC Name:
2-(pyridin-2-ylmethyl)-1H-benzimidazole
InChI:
InChI=1S/C13H11N3/c1-2-7-12-11(6-1)15-13(16-12)9-10-5-3-4-8-14-10/h1-8H,9H2,(H,15,16)
InChI Key:
KWPAMQYOBCDQCJ-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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