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Home > Imidazoles > 151602-49-2
151602-49-2 | 1H-Benzimidazol-6-ol, 2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-
CAS No: 151602-49-2 Catalog No: AG001NG8 MDL No:
Product Description
Catalog Number:
AG001NG8
Chemical Name:
1H-Benzimidazol-6-ol, 2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-
CAS Number:
151602-49-2
Molecular Formula:
C16H17N3O3S
Molecular Weight:
331.3895
IUPAC Name:
2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-ol
InChI:
InChI=1S/C16H17N3O3S/c1-9-7-17-14(10(2)15(9)22-3)8-23(21)16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)
InChI Key:
TWXDTVZNDQKCOS-UHFFFAOYSA-N
SMILES:
COc1c(C)cnc(c1C)CS(=O)c1nc2c([nH]1)cc(cc2)O
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.39g/mol
Monoisotopic Mass:
331.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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