5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C26H30N4S — CID 133157843

About 5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133157843) has the molecular formula C26H30N4S and a molecular weight of 430.62 g/mol. Its IUPAC name is 5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133157843
• Molecular Formula: C26H30N4S
• Molecular Weight: 430.62 g/mol
• Exact Mass: 430.22
• IUPAC Name: 5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: Cc1ccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(C3CCCC3)c2C)cc1
• InChI: InChI=1S/C26H30N4S/c1-17-11-13-21(14-12-17)30-25(24(28-26(30)31)23-10-6-7-15-27-23)22-16-18(2)29(19(22)3)20-8-4-5-9-20/h6-7,10-16,20,24-25H,4-5,8-9H2,1-3H3,(H,28,31)
• InChIKey: ZEHDTRFPTBKKHX-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 33.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.62
LogP ≤ 5	6.10
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 5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133157843) is 5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for 5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(C3CCCC3)c2C)cc1.

What is the InChIKey of 5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is ZEHDTRFPTBKKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4S/c1-17-11-13-21(14-12-17)30-25(24(28-26(30)31)23-10-6-7-15-27-23)22-16-18(2)29(19(22)3)20-8-4-5-9-20/h6-7,10-16,20,24-25H,4-5,8-9H2,1-3H3,(H,28,31).

What are the key properties of 5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?

5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 430.62 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133157843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).