1,3-dimethyl-2-(thiophen-2-yl)imidazolidine

• ChemBase ID: 86078
• Molecular Formular: C9H14N2S
• Molecular Mass: 182.28586
• Monoisotopic Mass: 182.08776946
• SMILES: N1(C(c2cccs2)N(CC1)C)C
• Canonical SMILES: CN1CCN(C1c1cccs1)C
• InChI: InChI=1S/C9H14N2S/c1-10-5-6-11(2)9(10)8-4-3-7-12-8/h3-4,7,9H,5-6H2,1-2H3
• InChIKey: HIHONCXGFIYIJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-2-(thiophen-2-yl)imidazolidine
• IUPAC Traditional name: 1,3-dimethyl-2-(thiophen-2-yl)imidazolidine
• Synonyms: 1,3-dimethyl-2-(2-thienyl)imidazolidine

Database IDs

• MDL Number: MFCD00191636
• PubChem SID: 162073194
• PubChem CID: 2797481

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8741818
• LogD (pH = 7.4): 1.9374169
• Log P: 2.0005217
• Molar Refractivity: 52.2783 cm^3
• Polarizability: 20.506565 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true