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Home > Imidazoles > 176219-04-8
176219-04-8 | 1H-Benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl]-
CAS No: 176219-04-8 Catalog No: AG0024I9 MDL No:MFCD08274751
Product Description
Catalog Number:
AG0024I9
Chemical Name:
1H-Benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl]-
CAS Number:
176219-04-8
Molecular Formula:
C17H19N3O4S
Molecular Weight:
361.4155
MDL Number:
MFCD08274751
IUPAC Name:
6-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methylsulfinyl]-1H-benzimidazole
InChI:
InChI=1S/C17H19N3O4S/c1-10-8-20(21)15(11(2)16(10)24-4)9-25(22)17-18-13-6-5-12(23-3)7-14(13)19-17/h5-8H,9H2,1-4H3,(H,18,19)
InChI Key:
QZVDQETYNOBUPJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(n2)S(=O)Cc1[n+]([O-])cc(c(c1C)OC)C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.416g/mol
Monoisotopic Mass:
361.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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