2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol

C17H16N2OS — CID 23904808

IUPAC2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol
SMILESCOc1ccc(-c2nc(S)c(-c3ccc(C)cc3)[nH]2)cc1
InChIInChI=1S/C17H16N2OS/c1-11-3-5-12(6-4-11)15-17(21)19-16(18-15)13-7-9-14(20-2)10-8-13/h3-10,21H,1-2H3,(H,18,19)
InChIKeyFSFDKNWHVZPYTG-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.35
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol

2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol (PubChem CID 23904808) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol
PubChem CID23904808
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol
SMILESCOc1ccc(-c2nc(S)c(-c3ccc(C)cc3)[nH]2)cc1
InChIInChI=1S/C17H16N2OS/c1-11-3-5-12(6-4-11)15-17(21)19-16(18-15)13-7-9-14(20-2)10-8-13/h3-10,21H,1-2H3,(H,18,19)
InChIKeyFSFDKNWHVZPYTG-UHFFFAOYSA-N
XLogP4.35
TPSA37.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol?
The IUPAC name of 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol (CID 23904808) is 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol is COc1ccc(-c2nc(S)c(-c3ccc(C)cc3)[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol?
The InChIKey is FSFDKNWHVZPYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-11-3-5-12(6-4-11)15-17(21)19-16(18-15)13-7-9-14(20-2)10-8-13/h3-10,21H,1-2H3,(H,18,19).
What are the key properties of 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol?
2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol has a molecular weight of 296.40 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol is sourced from PubChem (CID 23904808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).