4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione

C134H138F4N8O24S4 — CID 159733904

About 4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione

4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione (PubChem CID 159733904) has the molecular formula C134H138F4N8O24S4 and a molecular weight of 2448.87 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione
• PubChem CID: 159733904
• Molecular Formula: C134H138F4N8O24S4
• Molecular Weight: 2448.87 g/mol
• Exact Mass: 2446.86
• IUPAC Name: 4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione
• SMILES: COc1ccc(C2C(CCCC(O)c3ccc(F)cc3)NC(=S)N2c2ccccc2)c(O)c1.OCC1OC(c2ccc(-c3ccc(C4C(CCC(O)c5ccc(F)cc5)NC(=S)N4c4ccccc4)c(O)c3)cc2)C(O)C(O)C1O.OC[C@H]1O[C@@H](c2ccc(-c3ccc([C@@H]4[C@H](CCC(O)c5ccc(F)cc5)NC(=S)N4c4ccccc4)c(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@H](c2ccc(-c3ccc([C@@H]4[C@H](CC[C@H](O)c5ccc(F)cc5)NC(=S)N4c4ccccc4)c(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/3C36H37FN2O7S.C26H27FN2O3S/c3*37-24-13-10-21(11-14-24)28(41)17-16-27-31(39(36(47)38-27)25-4-2-1-3-5-25)26-15-12-23(18-29(26)42)20-6-8-22(9-7-20)35-34(45)33(44)32(43)30(19-40)46-35;1-32-20-14-15-21(24(31)16-20)25-22(28-26(33)29(25)19-6-3-2-4-7-19)8-5-9-23(30)17-10-12-18(27)13-11-17/h3*1-15,18,27-28,30-35,40-45H,16-17,19H2,(H,38,47);2-4,6-7,10-16,22-23,25,30-31H,5,8-9H2,1H3,(H,28,33)/t27-,28?,30+,31+,32+,33-,34+,35-;27-,28-,30+,31+,32+,33-,34+,35-;;/m00../s1
• InChIKey: NBOYVXROIAQQCZ-DQDAJAKVSA-N
• XLogP: 17.34
• TPSA: 502.60 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 28
• Rotatable Bonds: 35
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2448.87
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	28

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 4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione?

The IUPAC name of 4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione (CID 159733904) is 4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione.

What is the SMILES notation for 4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione?

The canonical SMILES for 4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione is COc1ccc(C2C(CCCC(O)c3ccc(F)cc3)NC(=S)N2c2ccccc2)c(O)c1.OCC1OC(c2ccc(-c3ccc(C4C(CCC(O)c5ccc(F)cc5)NC(=S)N4c4ccccc4)c(O)c3)cc2)C(O)C(O)C1O.OC[C@H]1O[C@@H](c2ccc(-c3ccc([C@@H]4[C@H](CCC(O)c5ccc(F)cc5)NC(=S)N4c4ccccc4)c(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@H](c2ccc(-c3ccc([C@@H]4[C@H](CC[C@H](O)c5ccc(F)cc5)NC(=S)N4c4ccccc4)c(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of 4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione?

The InChIKey is NBOYVXROIAQQCZ-DQDAJAKVSA-N. The full InChI is InChI=1S/3C36H37FN2O7S.C26H27FN2O3S/c3*37-24-13-10-21(11-14-24)28(41)17-16-27-31(39(36(47)38-27)25-4-2-1-3-5-25)26-15-12-23(18-29(26)42)20-6-8-22(9-7-20)35-34(45)33(44)32(43)30(19-40)46-35;1-32-20-14-15-21(24(31)16-20)25-22(28-26(33)29(25)19-6-3-2-4-7-19)8-5-9-23(30)17-10-12-18(27)13-11-17/h3*1-15,18,27-28,30-35,40-45H,16-17,19H2,(H,38,47);2-4,6-7,10-16,22-23,25,30-31H,5,8-9H2,1H3,(H,28,33)/t27-,28?,30+,31+,32+,33-,34+,35-;27-,28-,30+,31+,32+,33-,34+,35-;;/m00../s1.

What are the key properties of 4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione?

4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione has a molecular weight of 2448.87 g/mol, XLogP of 17.34, 35 rotatable bonds, 24 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-(2-hydroxy-4-methoxyphenyl)-1-phenylimidazolidine-2-thione;4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione;(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidine-2-thione is sourced from PubChem (CID 159733904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).