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51493-19-7

51493-19-7 | 1-Propanone,1-phenyl-3-[2-[[4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]methyl]-1H-benzimidazol-1-yl]-

CAS No: 51493-19-7 Catalog No: AG006VRS MDL No:

Product Description

Catalog Number:
AG006VRS
Chemical Name:
1-Propanone,1-phenyl-3-[2-[[4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]methyl]-1H-benzimidazol-1-yl]-
CAS Number:
51493-19-7
Molecular Formula:
C30H32N4O
Molecular Weight:
464.6013
IUPAC Name:
1-phenyl-3-[2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
InChI:
InChI=1S/C30H32N4O/c35-29(26-13-5-2-6-14-26)17-19-34-28-16-8-7-15-27(28)31-30(34)24-33-22-20-32(21-23-33)18-9-12-25-10-3-1-4-11-25/h1-16H,17-24H2
InChI Key:
VIAYOUBFHWUVLW-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCn1c(CN2CCN(CC2)CC=Cc2ccccc2)nc2c1cccc2
EC Number:
257-239-0
UNII:
601OJW5ILI

Properties

Complexity:
676  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.258g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.613g/mol
Monoisotopic Mass:
464.258g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
41.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.5  

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