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

C29H32N4OS — CID 133181201

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

1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (PubChem CID 133181201) has the molecular formula C29H32N4OS and a molecular weight of 484.67 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
• PubChem CID: 133181201
• Molecular Formula: C29H32N4OS
• Molecular Weight: 484.67 g/mol
• Exact Mass: 484.23
• IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
• SMILES: COc1ccc(CN2C(=S)NC(c3ccccn3)C2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1
• InChI: InChI=1S/C29H32N4OS/c1-19-17-29(2,3)32(4)25-14-11-21(16-23(19)25)27-26(24-8-6-7-15-30-24)31-28(35)33(27)18-20-9-12-22(34-5)13-10-20/h6-17,26-27H,18H2,1-5H3,(H,31,35)
• InChIKey: QODLJJONVAGJPW-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 40.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.67
LogP ≤ 5	5.89
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 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?

The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (CID 133181201) is 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.

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

The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione is COc1ccc(CN2C(=S)NC(c3ccccn3)C2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1.

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

The InChIKey is QODLJJONVAGJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4OS/c1-19-17-29(2,3)32(4)25-14-11-21(16-23(19)25)27-26(24-8-6-7-15-30-24)31-28(35)33(27)18-20-9-12-22(34-5)13-10-20/h6-17,26-27H,18H2,1-5H3,(H,31,35).

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

1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione has a molecular weight of 484.67 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione is sourced from PubChem (CID 133181201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).