sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide

C17H18N3NaO3S — CID 71316430

IUPACsodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide
SMILES[2H]C([2H])([2H])Oc1ccc2[n-]c([S@](=O)Cc3ncc(C)c(OC)c3C)nc2c1.[Na+]
InChIInChI=1S/C17H18N3O3S.Na/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;/q-1;+1/t24-;/m1./s1/i3D3;
InChIKeyRYXPMWYHEBGTRV-HVMCLCOWSA-N
MW370.42 g/mol
LogP-0.47
Rot. Bonds6

About sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide

sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide (PubChem CID 71316430) has the molecular formula C17H18N3NaO3S and a molecular weight of 370.42 g/mol. Its IUPAC name is sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide.

Molecular Properties

Compound Namesodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide
PubChem CID71316430
Molecular FormulaC17H18N3NaO3S
Molecular Weight370.42 g/mol
Exact Mass370.12
IUPAC Namesodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide
SMILES[2H]C([2H])([2H])Oc1ccc2[n-]c([S@](=O)Cc3ncc(C)c(OC)c3C)nc2c1.[Na+]
InChIInChI=1S/C17H18N3O3S.Na/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;/q-1;+1/t24-;/m1./s1/i3D3;
InChIKeyRYXPMWYHEBGTRV-HVMCLCOWSA-N
XLogP-0.47
TPSA75.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide with MolForge

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Launch Full Analysis

Related Compounds

2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane
CID 161045206
5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide;tetrabutylazanium
CID 24969144
2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazole
CID 87490691
benzyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium;5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide
CID 24969328
sodium;2-[(S)-[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazole;hydride
CID 173091573
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine
CID 68623258
sodium;2-[[6-deuterio-4-(trideuteriomethoxy)-3,5-bis(trideuteriomethyl)-2-pyridinyl]methylsulfanyl]-6-(trideuteriomethoxy)-1H-benzimidazole;2-[(R)-[6-deuterio-4-(trideuteriomethoxy)-3,5-bis(trideuteriomethyl)-2-pyridinyl]methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide
CID 158786677
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-6-(trideuteriomethoxy)-1H-benzimidazole;2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazole
CID 162101256
5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole
CID 92978119
methanol;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 174757832
magnesium;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;trihydrate
CID 22712834
magnesium;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;dichloride;tetrahydrate
CID 54576863

Frequently Asked Questions

What is the IUPAC name of sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide?
The IUPAC name of sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide (CID 71316430) is sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide.
What is the SMILES notation for sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide?
The canonical SMILES for sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide is [2H]C([2H])([2H])Oc1ccc2[n-]c([S@](=O)Cc3ncc(C)c(OC)c3C)nc2c1.[Na+].
What is the InChIKey of sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide?
The InChIKey is RYXPMWYHEBGTRV-HVMCLCOWSA-N. The full InChI is InChI=1S/C17H18N3O3S.Na/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;/q-1;+1/t24-;/m1./s1/i3D3;.
What are the key properties of sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide?
sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide has a molecular weight of 370.42 g/mol, XLogP of -0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide is sourced from PubChem (CID 71316430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).