chempirical

Ilaprazole

C19H18N4O2SCAS 172152-36-2366.44 g/mol

Open in Covalent MOL file
ONSONNNH
EtherSulfoxide

Properties

Molecular formula
C19H18N4O2S
Molar mass
366.44 g/mol
Exact mass
366.1150 Da
logP
3.37Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Identifiers

CAS number
172152-36-2
SMILES
COc1ccnc(CS(=O)c2nc3ccc(-n4cccc4)cc3[nH]2)c1C
InChIKey
HRRXCXABAPSOCP-UHFFFAOYSA-N
InChI
InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1H-Benzimidazole, 2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(1H-pyrrol-1-yl)-
  • 1H-Benzimidazole, 2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-5-(1H-pyrrol-1-yl)-
  • 2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(1H-pyrrol-1-yl)-1H-benzimidazole
  • IY 81149
  • RS-ilaprazole
  • 2-[(4-Methoxy-3-methylpyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole

Work with Ilaprazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lansoprazole103577-45-356 % similar (+)-Lansoprazole138530-94-656 % similar Rabeprazole117976-89-355 % similar Pantoprazole102625-70-753 % similar Rabeprazole sodium117976-90-653 % similar (-)-Omeprazole119141-88-752 % similar (+)-Omeprazole119141-89-852 % similar Omeprazole73590-58-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook