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89634-66-2 | 1H-Benzimidazole, 5-(3-pyridinylmethyl)-
CAS No: 89634-66-2 Catalog No: AG003WIZ MDL No:
Product Description
Catalog Number:
AG003WIZ
Chemical Name:
1H-Benzimidazole, 5-(3-pyridinylmethyl)-
CAS Number:
89634-66-2
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
IUPAC Name:
6-(pyridin-3-ylmethyl)-1H-benzimidazole
InChI:
InChI=1S/C13H11N3/c1-2-11(8-14-5-1)6-10-3-4-12-13(7-10)16-9-15-12/h1-5,7-9H,6H2,(H,15,16)
InChI Key:
PDWPYSVCGQKKLL-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)Cc1ccc2c(c1)nc[nH]2
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:
2.3
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