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89574-64-1 | 1H-Imidazo[4,5-b]pyridine, 2-[3-(pentyloxy)-2-naphthalenyl]-
CAS No: 89574-64-1 Catalog No: AG003Z92 MDL No:
Product Description
Catalog Number:
AG003Z92
Chemical Name:
1H-Imidazo[4,5-b]pyridine, 2-[3-(pentyloxy)-2-naphthalenyl]-
CAS Number:
89574-64-1
Molecular Formula:
C21H21N3O
Molecular Weight:
331.4109
IUPAC Name:
2-(3-pentoxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine
InChI:
InChI=1S/C21H21N3O/c1-2-3-6-12-25-19-14-16-9-5-4-8-15(16)13-17(19)20-23-18-10-7-11-22-21(18)24-20/h4-5,7-11,13-14H,2-3,6,12H2,1H3,(H,22,23,24)
InChI Key:
ASFUTSKLWVENEX-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc2ccccc2cc1c1nc2c([nH]1)cccn2
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.419g/mol
Monoisotopic Mass:
331.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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