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Home > Imidazoles > 87477-69-8
87477-69-8 | 1H-Imidazole, 1-[5-[4-(phenylmethoxy)phenoxy]pentyl]-
CAS No: 87477-69-8 Catalog No: AG004EPI MDL No:
Product Description
Catalog Number:
AG004EPI
Chemical Name:
1H-Imidazole, 1-[5-[4-(phenylmethoxy)phenoxy]pentyl]-
CAS Number:
87477-69-8
Molecular Formula:
C21H24N2O2
Molecular Weight:
336.4275
IUPAC Name:
1-[5-(4-phenylmethoxyphenoxy)pentyl]imidazole
InChI:
InChI=1S/C21H24N2O2/c1-3-7-19(8-4-1)17-25-21-11-9-20(10-12-21)24-16-6-2-5-14-23-15-13-22-18-23/h1,3-4,7-13,15,18H,2,5-6,14,16-17H2
InChI Key:
FDSABWBRDSJRNK-UHFFFAOYSA-N
SMILES:
C(CCn1cncc1)CCOc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.184g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.435g/mol
Monoisotopic Mass:
336.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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