1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione

C27H24Cl2N4OS — CID 133223950

About 1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione

1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133223950) has the molecular formula C27H24Cl2N4OS and a molecular weight of 523.49 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133223950
• Molecular Formula: C27H24Cl2N4OS
• Molecular Weight: 523.49 g/mol
• Exact Mass: 522.10
• IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: Cc1c(C2C(c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n(-c2cccc(Cl)c2)c1C
• InChI: InChI=1S/C27H24Cl2N4OS/c1-15-16(2)32(20-8-6-7-18(28)13-20)17(3)24(15)26-25(21-9-4-5-12-30-21)31-27(35)33(26)22-14-19(29)10-11-23(22)34/h4-14,25-26,34H,1-3H3,(H,31,35)
• InChIKey: LCPYAIMITWHVFL-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 53.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.49
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133223950) is 1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione is Cc1c(C2C(c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n(-c2cccc(Cl)c2)c1C.

What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is LCPYAIMITWHVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N4OS/c1-15-16(2)32(20-8-6-7-18(28)13-20)17(3)24(15)26-25(21-9-4-5-12-30-21)31-27(35)33(26)22-14-19(29)10-11-23(22)34/h4-14,25-26,34H,1-3H3,(H,31,35).

What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione?

1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 523.49 g/mol, XLogP of 6.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133223950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).