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245-47-6

245-47-6 | Pyrido[1,2-a]benzimidazole

CAS No: 245-47-6 Catalog No: AG002OC9 MDL No:MFCD00230079

Product Description

Catalog Number:
AG002OC9
Chemical Name:
Pyrido[1,2-a]benzimidazole
CAS Number:
245-47-6
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
MDL Number:
MFCD00230079
IUPAC Name:
pyrido[1,2-a]benzimidazole
InChI:
InChI=1S/C11H8N2/c1-2-6-10-9(5-1)12-11-7-3-4-8-13(10)11/h1-8H
InChI Key:
FODVQKYUAIWTKY-UHFFFAOYSA-N
SMILES:
c1ccn2c(c1)nc1c2cccc1
NSC Number:
660430

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

Title Journal
One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine. The Journal of organic chemistry 20090116

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