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Home > Imidazoles > 677007-33-9
677007-33-9 | 4-Piperidinone, 1-[2-(1H-benzimidazol-2-yl)ethoxy]-2,6-diphenyl-
CAS No: 677007-33-9 Catalog No: AG00643G MDL No:
Product Description
Catalog Number:
AG00643G
Chemical Name:
4-Piperidinone, 1-[2-(1H-benzimidazol-2-yl)ethoxy]-2,6-diphenyl-
CAS Number:
677007-33-9
Molecular Formula:
C26H25N3O2
Molecular Weight:
411.4956
IUPAC Name:
1-[2-(1H-benzimidazol-2-yl)ethoxy]-2,6-diphenylpiperidin-4-one
InChI:
InChI=1S/C26H25N3O2/c30-21-17-24(19-9-3-1-4-10-19)29(25(18-21)20-11-5-2-6-12-20)31-16-15-26-27-22-13-7-8-14-23(22)28-26/h1-14,24-25H,15-18H2,(H,27,28)
InChI Key:
QTRVUYNLFPBSDL-UHFFFAOYSA-N
SMILES:
O=C1CC(c2ccccc2)N(C(C1)c1ccccc1)OCCc1nc2c([nH]1)cccc2
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.195g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.505g/mol
Monoisotopic Mass:
411.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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