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32063-49-3 | 1H-Benzimidazole,2-(1-methyl-5-nitro-1H-imidazol-2-yl)-1-[3-(4-morpholinyl)propyl]-
CAS No: 32063-49-3 Catalog No: AG007HEY MDL No:
Product Description
Catalog Number:
AG007HEY
Chemical Name:
1H-Benzimidazole,2-(1-methyl-5-nitro-1H-imidazol-2-yl)-1-[3-(4-morpholinyl)propyl]-
CAS Number:
32063-49-3
Molecular Formula:
C18H22N6O3
Molecular Weight:
370.4057
IUPAC Name:
4-[3-[2-(1-methyl-5-nitroimidazol-2-yl)benzimidazol-1-yl]propyl]morpholine
InChI:
InChI=1S/C18H22N6O3/c1-21-16(24(25)26)13-19-17(21)18-20-14-5-2-3-6-15(14)23(18)8-4-7-22-9-11-27-12-10-22/h2-3,5-6,13H,4,7-12H2,1H3
InChI Key:
KCSALABEXYXQRB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C)c1nc2c(n1CCCN1CCOCC1)cccc2
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.175g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.413g/mol
Monoisotopic Mass:
370.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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