4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione

C11H12N2S — CID 13290699

IUPAC4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(CCc2ccccc2)[nH]1
InChIInChI=1S/C11H12N2S/c14-11-12-8-10(13-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,13,14)
InChIKeyREPWWADKXMIAHS-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.86
Rot. Bonds3

About 4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione

4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione (PubChem CID 13290699) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione
PubChem CID13290699
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(CCc2ccccc2)[nH]1
InChIInChI=1S/C11H12N2S/c14-11-12-8-10(13-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,13,14)
InChIKeyREPWWADKXMIAHS-UHFFFAOYSA-N
XLogP2.86
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2-phenylethyl)-1,3-dihydroimidazole-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 4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione (CID 13290699) is 4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione is S=c1[nH]cc(CCc2ccccc2)[nH]1.
What is the InChIKey of 4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is REPWWADKXMIAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c14-11-12-8-10(13-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,13,14).
What are the key properties of 4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione?
4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 204.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 13290699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).