4,4-dimethyl-1-phenylimidazolidine-2-thione

C11H14N2S — CID 3032899

IUPAC4,4-dimethyl-1-phenylimidazolidine-2-thione
SMILESCC1(C)CN(c2ccccc2)C(=S)N1
InChIInChI=1S/C11H14N2S/c1-11(2)8-13(10(14)12-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)
InChIKeyVSWFMNJNVGGNJK-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.16
Rot. Bonds1

About 4,4-dimethyl-1-phenylimidazolidine-2-thione

4,4-dimethyl-1-phenylimidazolidine-2-thione (PubChem CID 3032899) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-phenylimidazolidine-2-thione.

Molecular Properties

Compound Name4,4-dimethyl-1-phenylimidazolidine-2-thione
PubChem CID3032899
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4,4-dimethyl-1-phenylimidazolidine-2-thione
SMILESCC1(C)CN(c2ccccc2)C(=S)N1
InChIInChI=1S/C11H14N2S/c1-11(2)8-13(10(14)12-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)
InChIKeyVSWFMNJNVGGNJK-UHFFFAOYSA-N
XLogP2.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-1-phenylimidazolidine-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 4,4-dimethyl-1-phenylimidazolidine-2-thione?
The IUPAC name of 4,4-dimethyl-1-phenylimidazolidine-2-thione (CID 3032899) is 4,4-dimethyl-1-phenylimidazolidine-2-thione.
What is the SMILES notation for 4,4-dimethyl-1-phenylimidazolidine-2-thione?
The canonical SMILES for 4,4-dimethyl-1-phenylimidazolidine-2-thione is CC1(C)CN(c2ccccc2)C(=S)N1.
What is the InChIKey of 4,4-dimethyl-1-phenylimidazolidine-2-thione?
The InChIKey is VSWFMNJNVGGNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-11(2)8-13(10(14)12-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14).
What are the key properties of 4,4-dimethyl-1-phenylimidazolidine-2-thione?
4,4-dimethyl-1-phenylimidazolidine-2-thione has a molecular weight of 206.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-phenylimidazolidine-2-thione is sourced from PubChem (CID 3032899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).