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Lansoprazole Impurity 26

CAT: 1299-RM-L191652-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L191652-01Size:10 mg
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CAS Number
1187926-85-7
Synonyms
2- (((3-methyl-4-nitropyridin-2-yl) methyl) sulfonyl) -1H-benzo[d]imidazole
Molecular Formula
C14H12N4O4S
Molecular Weight
332.33
Target Alternative Name
Lansoprazole
Product Name Synonym
2- (((3-methyl-4-nitropyridin-2-yl) methyl) sulfonyl) -1H-benzo[d]imidazole

Chemical Information

2-(((3-Methyl-4-nitropyridin-2-yl)methyl)sulfonyl)-1H-benzo[d]imidazole
CAS Number1187926-85-7
PubChem CID58129421
IUPAC Name2-[(3-methyl-4-nitro-2-pyridinyl)methylsulfonyl]-1H-benzimidazole
Molecular FormulaC14H12N4O4S
Molecular Weight332.34
XLogP1.7
Topological Polar Surface Area130
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity544
SMILES
CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N4O4S/c1-9-12(15-7-6-13(9)18(19)20)8-23(21,22)14-16-10-4-2-3-5-11(10)17-14/h2-7H,8H2,1H3,(H,16,17)
InChIKey
PDKDKUSPKCWWKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(((3-Methyl-4-nitropyridin-2-yl)methyl)sulfonyl)-1H-benzo[d]imidazole
CAS: 1187926-85-7
CID: 58129421
Formula: C14H12N4O4S
MW: 332.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight332.34
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass332.05792605
Monoisotopic Mass332.05792605
Topological Polar Surface Area130 Ų
Heavy Atom Count23
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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