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Home > Imidazoles > 103877-02-7
103877-02-7 | 2-[[(4-METHOXY-3,5-DIMETHYL-PYRIDIN-2-YL)METHYL]THIO]-1H-BENZO[D]IMIDAZOL-6-OL; 5-HYDROXY-2-[[(4-METHOXY-3,5-DIMETHYL-PYRIDIN-2-YL)METHYL]THIO]-1H-BENZO[D]IMIDAZOLE
CAS No: 103877-02-7 Catalog No: AG007WZ4 MDL No:
Product Description
Catalog Number:
AG007WZ4
Chemical Name:
2-[[(4-METHOXY-3,5-DIMETHYL-PYRIDIN-2-YL)METHYL]THIO]-1H-BENZO[D]IMIDAZOL-6-OL; 5-HYDROXY-2-[[(4-METHOXY-3,5-DIMETHYL-PYRIDIN-2-YL)METHYL]THIO]-1H-BENZO[D]IMIDAZOLE
CAS Number:
103877-02-7
Molecular Formula:
C32H34N6O4S2
Molecular Weight:
630.7802
IUPAC Name:
2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-3H-benzimidazol-5-ol
InChI:
InChI=1S/C16H17N3O2S/c1-9-7-17-14(10(2)15(9)21-3)8-22-16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)
InChI Key:
QAPIOBRWGYAHRI-UHFFFAOYSA-N
SMILES:
COc1c(C)cnc(c1C)CSc1nc2c([nH]1)ccc(c2)O.COc1c(C)cnc(c1C)CSc1nc2c([nH]1)cc(cc2)O
Properties
Complexity:
373
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:
2
Isotope Atom Count:
0
Molecular Weight:
315.391g/mol
Monoisotopic Mass:
315.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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