5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole

C14H18N2OS — CID 12833672

IUPAC5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole
SMILESCOc1ccc(-c2cnc(SC)n2C(C)C)cc1
InChIInChI=1S/C14H18N2OS/c1-10(2)16-13(9-15-14(16)18-4)11-5-7-12(17-3)8-6-11/h5-10H,1-4H3
InChIKeyGLJXHANDLOOKHP-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.86
Rot. Bonds4

About 5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole

5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole (PubChem CID 12833672) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole
PubChem CID12833672
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole
SMILESCOc1ccc(-c2cnc(SC)n2C(C)C)cc1
InChIInChI=1S/C14H18N2OS/c1-10(2)16-13(9-15-14(16)18-4)11-5-7-12(17-3)8-6-11/h5-10H,1-4H3
InChIKeyGLJXHANDLOOKHP-UHFFFAOYSA-N
XLogP3.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole?
The IUPAC name of 5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole (CID 12833672) is 5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole is COc1ccc(-c2cnc(SC)n2C(C)C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole?
The InChIKey is GLJXHANDLOOKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(2)16-13(9-15-14(16)18-4)11-5-7-12(17-3)8-6-11/h5-10H,1-4H3.
What are the key properties of 5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole?
5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole has a molecular weight of 262.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole is sourced from PubChem (CID 12833672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).