2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane

C17H20N3O2S2- — CID 161045206

IUPAC2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane
SMILESCOc1c(C)cnc(C[S@](=O)c2nc3cc(C)ccc3[n-]2)c1C.S
InChIInChI=1S/C17H18N3O2S.H2S/c1-10-5-6-13-14(7-10)20-17(19-13)23(21)9-15-12(3)16(22-4)11(2)8-18-15;/h5-8H,9H2,1-4H3;1H2/q-1;/t23-;/m0./s1
InChIKeyUBKKIWFXROVAAV-BQAIUKQQSA-N
MW362.50 g/mol
LogP2.94
Rot. Bonds4

About 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane

2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane (PubChem CID 161045206) has the molecular formula C17H20N3O2S2- and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane.

Molecular Properties

Compound Name2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane
PubChem CID161045206
Molecular FormulaC17H20N3O2S2-
Molecular Weight362.50 g/mol
Exact Mass362.10
IUPAC Name2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane
SMILESCOc1c(C)cnc(C[S@](=O)c2nc3cc(C)ccc3[n-]2)c1C.S
InChIInChI=1S/C17H18N3O2S.H2S/c1-10-5-6-13-14(7-10)20-17(19-13)23(21)9-15-12(3)16(22-4)11(2)8-18-15;/h5-8H,9H2,1-4H3;1H2/q-1;/t23-;/m0./s1
InChIKeyUBKKIWFXROVAAV-BQAIUKQQSA-N
XLogP2.94
TPSA66.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane with MolForge

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Launch Full Analysis

Related Compounds

sodium 2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-(trideuteriomethoxy)benzimidazol-1-ide
CID 71316430
5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide;tetrabutylazanium
CID 24969144
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
potassium 2-[[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethyl-2-pyridinyl]methylsulfinyl]benzimidazol-1-ide
CID 23672368
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine
CID 68623258
magnesium;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;trihydrate
CID 22712834
methanol;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 174757832
4-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]aniline
CID 81201331
5-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-indole
CID 92978119
magnesium;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;dichloride;tetrahydrate
CID 54576863
magnesium;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;dichloride;dihydrate
CID 54576653
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazole-5-carbaldehyde
CID 18335025

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane?
The IUPAC name of 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane (CID 161045206) is 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane.
What is the SMILES notation for 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane?
The canonical SMILES for 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane is COc1c(C)cnc(C[S@](=O)c2nc3cc(C)ccc3[n-]2)c1C.S.
What is the InChIKey of 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane?
The InChIKey is UBKKIWFXROVAAV-BQAIUKQQSA-N. The full InChI is InChI=1S/C17H18N3O2S.H2S/c1-10-5-6-13-14(7-10)20-17(19-13)23(21)9-15-12(3)16(22-4)11(2)8-18-15;/h5-8H,9H2,1-4H3;1H2/q-1;/t23-;/m0./s1.
What are the key properties of 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane?
2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane has a molecular weight of 362.50 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazol-1-ide;sulfane is sourced from PubChem (CID 161045206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).