5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione

C25H32ClN5S — CID 133223375

About 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione

5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133223375) has the molecular formula C25H32ClN5S and a molecular weight of 470.09 g/mol. Its IUPAC name is 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133223375
• Molecular Formula: C25H32ClN5S
• Molecular Weight: 470.09 g/mol
• Exact Mass: 469.21
• IUPAC Name: 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: CC1=CC(C)(C)N(C)c2cc(Cl)c(C3C(c4ccccn4)NC(=S)N3CCN(C)C)cc21
• InChI: InChI=1S/C25H32ClN5S/c1-16-15-25(2,3)30(6)21-14-19(26)18(13-17(16)21)23-22(20-9-7-8-10-27-20)28-24(32)31(23)12-11-29(4)5/h7-10,13-15,22-23H,11-12H2,1-6H3,(H,28,32)
• InChIKey: RDILUQOAZKOMTE-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 34.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.09
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133223375) is 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione is CC1=CC(C)(C)N(C)c2cc(Cl)c(C3C(c4ccccn4)NC(=S)N3CCN(C)C)cc21.

What is the InChIKey of 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is RDILUQOAZKOMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5S/c1-16-15-25(2,3)30(6)21-14-19(26)18(13-17(16)21)23-22(20-9-7-8-10-27-20)28-24(32)31(23)12-11-29(4)5/h7-10,13-15,22-23H,11-12H2,1-6H3,(H,28,32).

What are the key properties of 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione?

5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 470.09 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133223375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).