3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione

C12H14N2OS — CID 15124055

IUPAC3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione
SMILESOc1ccc(CCCn2cc[nH]c2=S)cc1
InChIInChI=1S/C12H14N2OS/c15-11-5-3-10(4-6-11)2-1-8-14-9-7-13-12(14)16/h3-7,9,15H,1-2,8H2,(H,13,16)
InChIKeyCUGJJJHGRSSKCA-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.88
Rot. Bonds4

About 3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione

3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione (PubChem CID 15124055) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione
PubChem CID15124055
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione
SMILESOc1ccc(CCCn2cc[nH]c2=S)cc1
InChIInChI=1S/C12H14N2OS/c15-11-5-3-10(4-6-11)2-1-8-14-9-7-13-12(14)16/h3-7,9,15H,1-2,8H2,(H,13,16)
InChIKeyCUGJJJHGRSSKCA-UHFFFAOYSA-N
XLogP2.88
TPSA40.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione 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 3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione (CID 15124055) is 3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione is Oc1ccc(CCCn2cc[nH]c2=S)cc1.
What is the InChIKey of 3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione?
The InChIKey is CUGJJJHGRSSKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-11-5-3-10(4-6-11)2-1-8-14-9-7-13-12(14)16/h3-7,9,15H,1-2,8H2,(H,13,16).
What are the key properties of 3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione?
3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione has a molecular weight of 234.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxyphenyl)propyl]-1H-imidazole-2-thione is sourced from PubChem (CID 15124055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).