(4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C23H21Cl2N3OS — CID 100527211

About (4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

(4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 100527211) has the molecular formula C23H21Cl2N3OS and a molecular weight of 458.41 g/mol. Its IUPAC name is (4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: (4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 100527211
• Molecular Formula: C23H21Cl2N3OS
• Molecular Weight: 458.41 g/mol
• Exact Mass: 457.08
• IUPAC Name: (4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1C1CCCC1
• InChI: InChI=1S/C23H21Cl2N3OS/c24-16-9-8-14(13-17(16)25)19-10-11-20(29-19)22-21(18-7-3-4-12-26-18)27-23(30)28(22)15-5-1-2-6-15/h3-4,7-13,15,21-22H,1-2,5-6H2,(H,27,30)/t21-,22+/m0/s1
• InChIKey: IASRSWFWTWCZTO-FCHUYYIVSA-N
• XLogP: 6.56
• TPSA: 41.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.41
LogP ≤ 5	6.56
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 (4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of (4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 100527211) is (4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for (4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for (4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1C1CCCC1.

What is the InChIKey of (4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is IASRSWFWTWCZTO-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H21Cl2N3OS/c24-16-9-8-14(13-17(16)25)19-10-11-20(29-19)22-21(18-7-3-4-12-26-18)27-23(30)28(22)15-5-1-2-6-15/h3-4,7-13,15,21-22H,1-2,5-6H2,(H,27,30)/t21-,22+/m0/s1.

What are the key properties of (4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

(4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 458.41 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-1-cyclopentyl-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 100527211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).