3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione

C11H10Cl2N2OS — CID 54129169

IUPAC3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione
SMILESCCn1cc(O)n(-c2ccc(Cl)cc2Cl)c1=S
InChIInChI=1S/C11H10Cl2N2OS/c1-2-14-6-10(16)15(11(14)17)9-4-3-7(12)5-8(9)13/h3-6,16H,2H2,1H3
InChIKeyNTCQSDSFWWGCEM-UHFFFAOYSA-N
MW289.19 g/mol
LogP4.04
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione

3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione (PubChem CID 54129169) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione
PubChem CID54129169
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione
SMILESCCn1cc(O)n(-c2ccc(Cl)cc2Cl)c1=S
InChIInChI=1S/C11H10Cl2N2OS/c1-2-14-6-10(16)15(11(14)17)9-4-3-7(12)5-8(9)13/h3-6,16H,2H2,1H3
InChIKeyNTCQSDSFWWGCEM-UHFFFAOYSA-N
XLogP4.04
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-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-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione (CID 54129169) is 3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione is CCn1cc(O)n(-c2ccc(Cl)cc2Cl)c1=S.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione?
The InChIKey is NTCQSDSFWWGCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c1-2-14-6-10(16)15(11(14)17)9-4-3-7(12)5-8(9)13/h3-6,16H,2H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione?
3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione has a molecular weight of 289.19 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-ethyl-4-hydroxyimidazole-2-thione is sourced from PubChem (CID 54129169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).