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Home > Imidazoles > 88138-26-5
88138-26-5 | Benzamide, N-[4-[[6-(1H-benzimidazol-1-yl)hexyl]oxy]phenyl]-4-methyl-
CAS No: 88138-26-5 Catalog No: AG004F5X MDL No:
Product Description
Catalog Number:
AG004F5X
Chemical Name:
Benzamide, N-[4-[[6-(1H-benzimidazol-1-yl)hexyl]oxy]phenyl]-4-methyl-
CAS Number:
88138-26-5
Molecular Formula:
C27H29N3O2
Molecular Weight:
427.5381
IUPAC Name:
N-[4-[6-(benzimidazol-1-yl)hexoxy]phenyl]-4-methylbenzamide
InChI:
InChI=1S/C27H29N3O2/c1-21-10-12-22(13-11-21)27(31)29-23-14-16-24(17-15-23)32-19-7-3-2-6-18-30-20-28-25-8-4-5-9-26(25)30/h4-5,8-17,20H,2-3,6-7,18-19H2,1H3,(H,29,31)
InChI Key:
QAAYQDRPBISIIO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Nc1ccc(cc1)OCCCCCCn1cnc2c1cccc2
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.226g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.548g/mol
Monoisotopic Mass:
427.226g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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