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110374-16-8

110374-16-8 | 2-[[(3,5-Dimethyl-2-pyridinyl)methyl]sulfinyl]-6-methoxy-1H-benzimidazole

CAS No: 110374-16-8 Catalog No: AG0037ZZ MDL No:MFCD08272115

Product Description

Catalog Number:
AG0037ZZ
Chemical Name:
2-[[(3,5-Dimethyl-2-pyridinyl)methyl]sulfinyl]-6-methoxy-1H-benzimidazole
CAS Number:
110374-16-8
Molecular Formula:
C16H17N3O2S
Molecular Weight:
315.3901
MDL Number:
MFCD08272115
IUPAC Name:
2-[(3,5-dimethylpyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole
InChI:
InChI=1S/C16H17N3O2S/c1-10-6-11(2)15(17-8-10)9-22(20)16-18-13-5-4-12(21-3)7-14(13)19-16/h4-8H,9H2,1-3H3,(H,18,19)
InChI Key:
ZMXZYNHJPJEPAE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(n2)S(=O)Cc1ncc(cc1C)C

Properties

Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.104g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.391g/mol
Monoisotopic Mass:
315.104g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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