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Home > Imidazoles > 80477-76-5
80477-76-5 | 5-METHYL-2-(2-PYRIDINYL)-1-(2-(2-PYRIDINYL)ETHYL)-1H-BENZIMIDAZOLE
CAS No: 80477-76-5 Catalog No: AG0052Y6 MDL No:
Product Description
Catalog Number:
AG0052Y6
Chemical Name:
5-METHYL-2-(2-PYRIDINYL)-1-(2-(2-PYRIDINYL)ETHYL)-1H-BENZIMIDAZOLE
CAS Number:
80477-76-5
Molecular Formula:
C20H18N4
Molecular Weight:
314.3837
IUPAC Name:
5-methyl-2-pyridin-2-yl-1-(2-pyridin-2-ylethyl)benzimidazole
InChI:
InChI=1S/C20H18N4/c1-15-8-9-19-18(14-15)23-20(17-7-3-5-12-22-17)24(19)13-10-16-6-2-4-11-21-16/h2-9,11-12,14H,10,13H2,1H3
InChI Key:
UDDHXFLTHLASTM-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(n2CCc1ccccn1)c1ccccn1
UNII:
3ZQH4BGA4I
NSC Number:
356790
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.392g/mol
Monoisotopic Mass:
314.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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