1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione

C27H28N4S — CID 133157654

About 1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione

1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (PubChem CID 133157654) has the molecular formula C27H28N4S and a molecular weight of 440.62 g/mol. Its IUPAC name is 1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
• PubChem CID: 133157654
• Molecular Formula: C27H28N4S
• Molecular Weight: 440.62 g/mol
• Exact Mass: 440.20
• IUPAC Name: 1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
• SMILES: CC1=CC(C)(C)N(C)c2ccc(C3C(c4ccccn4)NC(=S)N3c3ccccc3)cc21
• InChI: InChI=1S/C27H28N4S/c1-18-17-27(2,3)30(4)23-14-13-19(16-21(18)23)25-24(22-12-8-9-15-28-22)29-26(32)31(25)20-10-6-5-7-11-20/h5-17,24-25H,1-4H3,(H,29,32)
• InChIKey: KTCVTZFCZUEMGM-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 31.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.62
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?

The IUPAC name of 1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (CID 133157654) is 1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.

What is the SMILES notation for 1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?

The canonical SMILES for 1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione is CC1=CC(C)(C)N(C)c2ccc(C3C(c4ccccn4)NC(=S)N3c3ccccc3)cc21.

What is the InChIKey of 1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?

The InChIKey is KTCVTZFCZUEMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4S/c1-18-17-27(2,3)30(4)23-14-13-19(16-21(18)23)25-24(22-12-8-9-15-28-22)29-26(32)31(25)20-10-6-5-7-11-20/h5-17,24-25H,1-4H3,(H,29,32).

What are the key properties of 1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?

1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione has a molecular weight of 440.62 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione is sourced from PubChem (CID 133157654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).