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509093-77-0 | N-(1-Phenyl-5-[(piperidin-1-yl)methyl]-1H-benzimidazol-2-yl)-3-nitrobenzamide
CAS No: 509093-77-0 Catalog No: AG00DJVZ MDL No:
Product Description
Catalog Number:
AG00DJVZ
Chemical Name:
N-(1-Phenyl-5-[(piperidin-1-yl)methyl]-1H-benzimidazol-2-yl)-3-nitrobenzamide
CAS Number:
509093-77-0
IUPAC Name:
3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
InChI:
InChI=1S/C26H25N5O3/c32-25(20-8-7-11-22(17-20)31(33)34)28-26-27-23-16-19(18-29-14-5-2-6-15-29)12-13-24(23)30(26)21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,27,28,32)
InChI Key:
IEOZVBDPTHRYGK-UHFFFAOYSA-N
Properties
Complexity:
703
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.196g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
455.518g/mol
Monoisotopic Mass:
455.196g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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