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88138-05-0 | Benzamide, N-[4-[[5-(1H-imidazol-1-yl)pentyl]oxy]phenyl]-
CAS No: 88138-05-0 Catalog No: AG008C3D MDL No:
Product Description
Catalog Number:
AG008C3D
Chemical Name:
Benzamide, N-[4-[[5-(1H-imidazol-1-yl)pentyl]oxy]phenyl]-
CAS Number:
88138-05-0
Molecular Formula:
C21H23N3O2
Molecular Weight:
349.4262
IUPAC Name:
N-[4-(5-imidazol-1-ylpentoxy)phenyl]benzamide
InChI:
InChI=1S/C21H23N3O2/c25-21(18-7-3-1-4-8-18)23-19-9-11-20(12-10-19)26-16-6-2-5-14-24-15-13-22-17-24/h1,3-4,7-13,15,17H,2,5-6,14,16H2,(H,23,25)
InChI Key:
KBFYYYCOIZRJFX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc(cc1)OCCCCCn1cncc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.434g/mol
Monoisotopic Mass:
349.179g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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