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Home > Imidazoles > 116091-77-1
116091-77-1 | 1H-Benzimidazole, 6-(4,5-dihydro-2-oxazolyl)-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-
CAS No: 116091-77-1 Catalog No: AG000BMB MDL No:
Product Description
Catalog Number:
AG000BMB
Chemical Name:
1H-Benzimidazole, 6-(4,5-dihydro-2-oxazolyl)-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-
CAS Number:
116091-77-1
Molecular Formula:
C19H20N4O2S
Molecular Weight:
368.4527
IUPAC Name:
2-[2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C19H20N4O2S/c1-11-9-21-16(12(2)17(11)24-3)10-26-19-22-14-5-4-13(8-15(14)23-19)18-20-6-7-25-18/h4-5,8-9H,6-7,10H2,1-3H3,(H,22,23)
InChI Key:
VYPGKBPAXMMBIS-UHFFFAOYSA-N
SMILES:
COc1c(C)cnc(c1C)CSc1nc2c([nH]1)cc(cc2)C1=NCCO1
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.131g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.455g/mol
Monoisotopic Mass:
368.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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