(r)-omeprazole
C₁₇H₁₉N₃O₃S·345.400 g/mol·CID 9579578
IUPAC: 6-methoxy-2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
Also known as: 119141-89-8, (R)-5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole, (+)-omeprazole, r-omeprazole, Omeprazole, (R)- (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
345.400g/mol
Exact Mass
345.114713Da
Monoisotopic Mass
345.114713Da
XLogP
2.2
Polar Surface Area
96.3Ų
Complexity
453
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
6
Rotatable Bonds
5
Heavy Atoms
24
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 345.4 g/mol
MW ≤ 500
✓ 2.2
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 6
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m1/s1