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Home > Imidazoles > 88138-36-7
88138-36-7 | Benzamide, N-[2-[4-[[8-(1H-imidazol-1-yl)octyl]oxy]phenyl]ethyl]-
CAS No: 88138-36-7 Catalog No: AG004H4W MDL No:
Product Description
Catalog Number:
AG004H4W
Chemical Name:
Benzamide, N-[2-[4-[[8-(1H-imidazol-1-yl)octyl]oxy]phenyl]ethyl]-
CAS Number:
88138-36-7
Molecular Formula:
C26H33N3O2
Molecular Weight:
419.5591
IUPAC Name:
N-[2-[4-(8-imidazol-1-yloctoxy)phenyl]ethyl]benzamide
InChI:
InChI=1S/C26H33N3O2/c30-26(24-10-6-5-7-11-24)28-17-16-23-12-14-25(15-13-23)31-21-9-4-2-1-3-8-19-29-20-18-27-22-29/h5-7,10-15,18,20,22H,1-4,8-9,16-17,19,21H2,(H,28,30)
InChI Key:
VABSYABRPPWIMI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NCCc1ccc(cc1)OCCCCCCCCn1cncc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.257g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.569g/mol
Monoisotopic Mass:
419.257g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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