5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione

C44H45FN2O5S — CID 143651940

About 5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione

5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione (PubChem CID 143651940) has the molecular formula C44H45FN2O5S and a molecular weight of 732.92 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione.

Molecular Properties

• Compound Name: 5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione
• PubChem CID: 143651940
• Molecular Formula: C44H45FN2O5S
• Molecular Weight: 732.92 g/mol
• Exact Mass: 732.30
• IUPAC Name: 5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione
• SMILES: CN1C(=S)N(c2ccc(-c3ccccc3)cc2)C(c2ccc(-c3ccc(C4CC(O)CC(CO)O4)cc3)cc2O)C1CCCC(O)c1ccc(F)cc1
• InChI: InChI=1S/C44H45FN2O5S/c1-46-39(8-5-9-40(50)31-14-19-34(45)20-15-31)43(47(44(46)53)35-21-16-29(17-22-35)28-6-3-2-4-7-28)38-23-18-33(24-41(38)51)30-10-12-32(13-11-30)42-26-36(49)25-37(27-48)52-42/h2-4,6-7,10-24,36-37,39-40,42-43,48-51H,5,8-9,25-27H2,1H3
• InChIKey: GOAKPVUCNSLZJE-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 96.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.92
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione?

The IUPAC name of 5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione (CID 143651940) is 5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione.

What is the SMILES notation for 5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione?

The canonical SMILES for 5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione is CN1C(=S)N(c2ccc(-c3ccccc3)cc2)C(c2ccc(-c3ccc(C4CC(O)CC(CO)O4)cc3)cc2O)C1CCCC(O)c1ccc(F)cc1.

What is the InChIKey of 5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione?

The InChIKey is GOAKPVUCNSLZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45FN2O5S/c1-46-39(8-5-9-40(50)31-14-19-34(45)20-15-31)43(47(44(46)53)35-21-16-29(17-22-35)28-6-3-2-4-7-28)38-23-18-33(24-41(38)51)30-10-12-32(13-11-30)42-26-36(49)25-37(27-48)52-42/h2-4,6-7,10-24,36-37,39-40,42-43,48-51H,5,8-9,25-27H2,1H3.

What are the key properties of 5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione?

5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione has a molecular weight of 732.92 g/mol, XLogP of 8.49, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-[2-hydroxy-4-[4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione is sourced from PubChem (CID 143651940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).