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Home > Imidazoles > 89574-66-3
89574-66-3 | 1H-Imidazo[4,5-b]pyridine, 2-[3-(1-methylbutoxy)-2-naphthalenyl]-
CAS No: 89574-66-3 Catalog No: AG0086KS MDL No:
Product Description
Catalog Number:
AG0086KS
Chemical Name:
1H-Imidazo[4,5-b]pyridine, 2-[3-(1-methylbutoxy)-2-naphthalenyl]-
CAS Number:
89574-66-3
Molecular Formula:
C21H21N3O
Molecular Weight:
331.4109
IUPAC Name:
2-(3-pentan-2-yloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine
InChI:
InChI=1S/C21H21N3O/c1-3-7-14(2)25-19-13-16-9-5-4-8-15(16)12-17(19)20-23-18-10-6-11-22-21(18)24-20/h4-6,8-14H,3,7H2,1-2H3,(H,22,23,24)
InChI Key:
XUPFSXWFQLFJCT-UHFFFAOYSA-N
SMILES:
CCCC(Oc1cc2ccccc2cc1c1nc2c([nH]1)cccn2)C
Properties
Complexity:
431
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:
5
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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