3-(4-methoxyphenyl)-1H-imidazole-2-thione

C10H10N2OS — CID 2759656

IUPAC3-(4-methoxyphenyl)-1H-imidazole-2-thione
SMILESCOc1ccc(-n2cc[nH]c2=S)cc1
InChIInChI=1S/C10H10N2OS/c1-13-9-4-2-8(3-5-9)12-7-6-11-10(12)14/h2-7H,1H3,(H,11,14)
InChIKeyLIEBCNQPMNARMP-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.54
Rot. Bonds2

About 3-(4-methoxyphenyl)-1H-imidazole-2-thione

3-(4-methoxyphenyl)-1H-imidazole-2-thione (PubChem CID 2759656) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1H-imidazole-2-thione
PubChem CID2759656
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-(4-methoxyphenyl)-1H-imidazole-2-thione
SMILESCOc1ccc(-n2cc[nH]c2=S)cc1
InChIInChI=1S/C10H10N2OS/c1-13-9-4-2-8(3-5-9)12-7-6-11-10(12)14/h2-7H,1H3,(H,11,14)
InChIKeyLIEBCNQPMNARMP-UHFFFAOYSA-N
XLogP2.54
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(4-methoxyphenyl)-1H-imidazole-2-thione (CID 2759656) is 3-(4-methoxyphenyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(4-methoxyphenyl)-1H-imidazole-2-thione is COc1ccc(-n2cc[nH]c2=S)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1H-imidazole-2-thione?
The InChIKey is LIEBCNQPMNARMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-13-9-4-2-8(3-5-9)12-7-6-11-10(12)14/h2-7H,1H3,(H,11,14).
What are the key properties of 3-(4-methoxyphenyl)-1H-imidazole-2-thione?
3-(4-methoxyphenyl)-1H-imidazole-2-thione has a molecular weight of 206.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1H-imidazole-2-thione is sourced from PubChem (CID 2759656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).