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73590-87-1 | 1H-Benzimidazole, 2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-
CAS No: 73590-87-1 Catalog No: AG005YHW MDL No:
Product Description
Catalog Number:
AG005YHW
Chemical Name:
1H-Benzimidazole, 2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-
CAS Number:
73590-87-1
Molecular Formula:
C16H17N3OS
Molecular Weight:
299.3907
IUPAC Name:
2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C16H17N3OS/c1-10-8-17-14(11(2)15(10)20-3)9-21-16-18-12-6-4-5-7-13(12)19-16/h4-8H,9H2,1-3H3,(H,18,19)
InChI Key:
VTVRIUZRAIVZSC-UHFFFAOYSA-N
SMILES:
COc1c(C)cnc(c1C)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.392g/mol
Monoisotopic Mass:
299.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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