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Home > Imidazoles > 103876-99-9
103876-99-9 | 2[(4-METHOXY-5-HYDROXYMETHYL-3-METHYLPYRIDIN-2-YL)-METHYLTHIO]-5-METHOXYBENZO[D]IMIDAZOLE
CAS No: 103876-99-9 Catalog No: AG007WZ5 MDL No:
Product Description
Catalog Number:
AG007WZ5
Chemical Name:
2[(4-METHOXY-5-HYDROXYMETHYL-3-METHYLPYRIDIN-2-YL)-METHYLTHIO]-5-METHOXYBENZO[D]IMIDAZOLE
CAS Number:
103876-99-9
Molecular Formula:
C17H20N3O3S
Molecular Weight:
346.4240
IUPAC Name:
[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-methylpyridin-3-yl]methanol
InChI:
InChI=1S/C17H19N3O3S/c1-10-15(18-7-11(8-21)16(10)23-3)9-24-17-19-13-5-4-12(22-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
InChI Key:
KBRHWXYFTPMNSX-UHFFFAOYSA-N
SMILES:
COc1c(CO)cnc(c1C)[S](c1nc2c([nH]1)cc(cc2)OC)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.417g/mol
Monoisotopic Mass:
345.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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