Name: Name:1H-Benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl]-
Brand: Angene
SKU: AG0024I9
Rating: 90 (10 reviews)

1H-Benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl]sulfinyl]-

CAS No.:

176219-04-8

Catalog Number:

AG0024I9

Molecular Formula:

C17H19N3O4S

Molecular Weight:

361.4155

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

Complexity:

483

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

361.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

361.416g/mol

Monoisotopic Mass:

361.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2