4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine

C17H17N3O3S — CID 14211340

IUPAC4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine
SMILESCOc1cc(S(C)=O)ccc1-c1nc(-c2ccncc2)c(C)n1O
InChIInChI=1S/C17H17N3O3S/c1-11-16(12-6-8-18-9-7-12)19-17(20(11)21)14-5-4-13(24(3)22)10-15(14)23-2/h4-10,21H,1-3H3
InChIKeyAJOOEICUOFLQBT-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.90
Rot. Bonds4

About 4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine

4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine (PubChem CID 14211340) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine
PubChem CID14211340
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine
SMILESCOc1cc(S(C)=O)ccc1-c1nc(-c2ccncc2)c(C)n1O
InChIInChI=1S/C17H17N3O3S/c1-11-16(12-6-8-18-9-7-12)19-17(20(11)21)14-5-4-13(24(3)22)10-15(14)23-2/h4-10,21H,1-3H3
InChIKeyAJOOEICUOFLQBT-UHFFFAOYSA-N
XLogP2.90
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine?
The IUPAC name of 4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine (CID 14211340) is 4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine.
What is the SMILES notation for 4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine?
The canonical SMILES for 4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine is COc1cc(S(C)=O)ccc1-c1nc(-c2ccncc2)c(C)n1O.
What is the InChIKey of 4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine?
The InChIKey is AJOOEICUOFLQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-16(12-6-8-18-9-7-12)19-17(20(11)21)14-5-4-13(24(3)22)10-15(14)23-2/h4-10,21H,1-3H3.
What are the key properties of 4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine?
4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine has a molecular weight of 343.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine is sourced from PubChem (CID 14211340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).