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

C22H26N4S — CID 133221337

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

1-methyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (PubChem CID 133221337) has the molecular formula C22H26N4S and a molecular weight of 378.55 g/mol. Its IUPAC name is 1-methyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-methyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
• PubChem CID: 133221337
• Molecular Formula: C22H26N4S
• Molecular Weight: 378.55 g/mol
• Exact Mass: 378.19
• IUPAC Name: 1-methyl-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)N3C)cc21
• InChI: InChI=1S/C22H26N4S/c1-14-13-22(2,3)26(5)18-10-9-15(12-16(14)18)20-19(24-21(27)25(20)4)17-8-6-7-11-23-17/h6-13,19-20H,1-5H3,(H,24,27)
• InChIKey: BUGVBFJXGQUCNI-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 31.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.55
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-methyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (CID 133221337) is 1-methyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.

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

The canonical SMILES for 1-methyl-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)N3C)cc21.

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

The InChIKey is BUGVBFJXGQUCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4S/c1-14-13-22(2,3)26(5)18-10-9-15(12-16(14)18)20-19(24-21(27)25(20)4)17-8-6-7-11-23-17/h6-13,19-20H,1-5H3,(H,24,27).

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

1-methyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione has a molecular weight of 378.55 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione is sourced from PubChem (CID 133221337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).