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

C29H33N5S — CID 133156456

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

1-[4-(dimethylamino)phenyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (PubChem CID 133156456) has the molecular formula C29H33N5S and a molecular weight of 483.69 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)phenyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
• PubChem CID: 133156456
• Molecular Formula: C29H33N5S
• Molecular Weight: 483.69 g/mol
• Exact Mass: 483.25
• IUPAC Name: 1-[4-(dimethylamino)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)N3c3ccc(N(C)C)cc3)cc21
• InChI: InChI=1S/C29H33N5S/c1-19-18-29(2,3)33(6)25-15-10-20(17-23(19)25)27-26(24-9-7-8-16-30-24)31-28(35)34(27)22-13-11-21(12-14-22)32(4)5/h7-18,26-27H,1-6H3,(H,31,35)
• InChIKey: OHLNAXPUEHMZIB-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 34.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.69
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[4-(dimethylamino)phenyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (CID 133156456) is 1-[4-(dimethylamino)phenyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.

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

The canonical SMILES for 1-[4-(dimethylamino)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)N3c3ccc(N(C)C)cc3)cc21.

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

The InChIKey is OHLNAXPUEHMZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5S/c1-19-18-29(2,3)33(6)25-15-10-20(17-23(19)25)27-26(24-9-7-8-16-30-24)31-28(35)34(27)22-13-11-21(12-14-22)32(4)5/h7-18,26-27H,1-6H3,(H,31,35).

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

1-[4-(dimethylamino)phenyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione has a molecular weight of 483.69 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)phenyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione is sourced from PubChem (CID 133156456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).