1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C30H30N4O2S — CID 133244217

About 1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133244217) has the molecular formula C30H30N4O2S and a molecular weight of 510.66 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133244217
• Molecular Formula: C30H30N4O2S
• Molecular Weight: 510.66 g/mol
• Exact Mass: 510.21
• IUPAC Name: 1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: COc1ccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1
• InChI: InChI=1S/C30H30N4O2S/c1-35-23-15-11-21(12-16-23)33-20-6-10-27(33)29-28(26-9-4-5-19-31-26)32-30(37)34(29)22-13-17-25(18-14-22)36-24-7-2-3-8-24/h4-6,9-20,24,28-29H,2-3,7-8H2,1H3,(H,32,37)
• InChIKey: ULFYRZJJICTUGR-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 51.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.66
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133244217) is 1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is COc1ccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1.

What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is ULFYRZJJICTUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2S/c1-35-23-15-11-21(12-16-23)33-20-6-10-27(33)29-28(26-9-4-5-19-31-26)32-30(37)34(29)22-13-17-25(18-14-22)36-24-7-2-3-8-24/h4-6,9-20,24,28-29H,2-3,7-8H2,1H3,(H,32,37).

What are the key properties of 1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 510.66 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-cyclopentyloxyphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133244217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).