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40608-77-3 | 2-(pyridin-4-ylmethyl)-1h-benzimidazole
CAS No: 40608-77-3 Catalog No: AG0076GQ MDL No:
Product Description
Catalog Number:
AG0076GQ
Chemical Name:
2-(pyridin-4-ylmethyl)-1h-benzimidazole
CAS Number:
40608-77-3
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
IUPAC Name:
2-(pyridin-4-ylmethyl)-1H-benzimidazole
InChI:
InChI=1S/C13H11N3/c1-2-4-12-11(3-1)15-13(16-12)9-10-5-7-14-8-6-10/h1-8H,9H2,(H,15,16)
InChI Key:
KUZZQNHNDBQAJO-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)Cc1nc2c([nH]1)cccc2
NSC Number:
95894
Properties
Complexity:
225
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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