(4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one

C38H42N2O8 — CID 71098415

About (4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one

(4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one (PubChem CID 71098415) has the molecular formula C38H42N2O8 and a molecular weight of 654.76 g/mol. Its IUPAC name is (4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one.

Molecular Properties

• Compound Name: (4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one
• PubChem CID: 71098415
• Molecular Formula: C38H42N2O8
• Molecular Weight: 654.76 g/mol
• Exact Mass: 654.29
• IUPAC Name: (4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one
• SMILES: Cc1ccc([C@H](O)CCC[C@H]2NC(=O)N(c3ccccc3)[C@@H]2c2ccc(-c3ccc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2O)cc1
• InChI: InChI=1S/C38H42N2O8/c1-22-10-12-24(13-11-22)30(42)9-5-8-29-33(40(38(47)39-29)27-6-3-2-4-7-27)28-19-18-26(20-31(28)43)23-14-16-25(17-15-23)37-36(46)35(45)34(44)32(21-41)48-37/h2-4,6-7,10-20,29-30,32-37,41-46H,5,8-9,21H2,1H3,(H,39,47)/t29-,30-,32-,33-,34-,35+,36-,37+/m1/s1
• InChIKey: ZPSNUSAPWHXVEU-SFWPZNOPSA-N
• XLogP: 4.43
• TPSA: 162.95 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.76
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one?

The IUPAC name of (4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one (CID 71098415) is (4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one.

What is the SMILES notation for (4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one?

The canonical SMILES for (4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one is Cc1ccc([C@H](O)CCC[C@H]2NC(=O)N(c3ccccc3)[C@@H]2c2ccc(-c3ccc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2O)cc1.

What is the InChIKey of (4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one?

The InChIKey is ZPSNUSAPWHXVEU-SFWPZNOPSA-N. The full InChI is InChI=1S/C38H42N2O8/c1-22-10-12-24(13-11-22)30(42)9-5-8-29-33(40(38(47)39-29)27-6-3-2-4-7-27)28-19-18-26(20-31(28)43)23-14-16-25(17-15-23)37-36(46)35(45)34(44)32(21-41)48-37/h2-4,6-7,10-20,29-30,32-37,41-46H,5,8-9,21H2,1H3,(H,39,47)/t29-,30-,32-,33-,34-,35+,36-,37+/m1/s1.

What are the key properties of (4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one?

(4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one has a molecular weight of 654.76 g/mol, XLogP of 4.43, 10 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-4-[(4R)-4-hydroxy-4-(4-methylphenyl)butyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylimidazolidin-2-one is sourced from PubChem (CID 71098415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).