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Home > Imidazoles > 88138-22-1
88138-22-1 | Benzamide, N-[2-[[6-(1H-imidazol-1-yl)hexyl]oxy]-5-methylphenyl]-
CAS No: 88138-22-1 Catalog No: AG008C3A MDL No:
Product Description
Catalog Number:
AG008C3A
Chemical Name:
Benzamide, N-[2-[[6-(1H-imidazol-1-yl)hexyl]oxy]-5-methylphenyl]-
CAS Number:
88138-22-1
Molecular Formula:
C23H27N3O2
Molecular Weight:
377.4794
IUPAC Name:
N-[2-(6-imidazol-1-ylhexoxy)-5-methylphenyl]benzamide
InChI:
InChI=1S/C23H27N3O2/c1-19-11-12-22(21(17-19)25-23(27)20-9-5-4-6-10-20)28-16-8-3-2-7-14-26-15-13-24-18-26/h4-6,9-13,15,17-18H,2-3,7-8,14,16H2,1H3,(H,25,27)
InChI Key:
NOCQEDOVOICXLQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)NC(=O)c1ccccc1)OCCCCCCn1cncc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.488g/mol
Monoisotopic Mass:
377.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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