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919088-60-1 | 1H-Benzimidazole, 2-[4-[4-(4-methyl-1-piperazinyl)butoxy]phenyl]-
CAS No: 919088-60-1 Catalog No: AG006L8W MDL No:
Product Description
Catalog Number:
AG006L8W
Chemical Name:
1H-Benzimidazole, 2-[4-[4-(4-methyl-1-piperazinyl)butoxy]phenyl]-
CAS Number:
919088-60-1
Molecular Formula:
C22H28N4O
Molecular Weight:
364.4839
IUPAC Name:
2-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]-1H-benzimidazole
InChI:
InChI=1S/C22H28N4O/c1-25-13-15-26(16-14-25)12-4-5-17-27-19-10-8-18(9-11-19)22-23-20-6-2-3-7-21(20)24-22/h2-3,6-11H,4-5,12-17H2,1H3,(H,23,24)
InChI Key:
DJWPTLAPMQYNJW-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCCCOc1ccc(cc1)c1nc2c([nH]1)cccc2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.226g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.493g/mol
Monoisotopic Mass:
364.226g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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