5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one

C31H28N2O4 — CID 143299134

IUPAC5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one
SMILESCc1ccc(C(=O)CCC2NC(=O)N(c3ccccc3)C2c2ccc(-c3cccc(O)c3)cc2O)cc1
InChIInChI=1S/C31H28N2O4/c1-20-10-12-21(13-11-20)28(35)17-16-27-30(33(31(37)32-27)24-7-3-2-4-8-24)26-15-14-23(19-29(26)36)22-6-5-9-25(34)18-22/h2-15,18-19,27,30,34,36H,16-17H2,1H3,(H,32,37)
InChIKeyZKGJUIWOEJEKMO-UHFFFAOYSA-N
MW492.58 g/mol
LogP6.38
Rot. Bonds7

About 5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one

5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one (PubChem CID 143299134) has the molecular formula C31H28N2O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one.

Molecular Properties

Compound Name5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one
PubChem CID143299134
Molecular FormulaC31H28N2O4
Molecular Weight492.58 g/mol
Exact Mass492.20
IUPAC Name5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one
SMILESCc1ccc(C(=O)CCC2NC(=O)N(c3ccccc3)C2c2ccc(-c3cccc(O)c3)cc2O)cc1
InChIInChI=1S/C31H28N2O4/c1-20-10-12-21(13-11-20)28(35)17-16-27-30(33(31(37)32-27)24-7-3-2-4-8-24)26-15-14-23(19-29(26)36)22-6-5-9-25(34)18-22/h2-15,18-19,27,30,34,36H,16-17H2,1H3,(H,32,37)
InChIKeyZKGJUIWOEJEKMO-UHFFFAOYSA-N
XLogP6.38
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one?
The IUPAC name of 5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one (CID 143299134) is 5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one.
What is the SMILES notation for 5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one?
The canonical SMILES for 5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one is Cc1ccc(C(=O)CCC2NC(=O)N(c3ccccc3)C2c2ccc(-c3cccc(O)c3)cc2O)cc1.
What is the InChIKey of 5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one?
The InChIKey is ZKGJUIWOEJEKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O4/c1-20-10-12-21(13-11-20)28(35)17-16-27-30(33(31(37)32-27)24-7-3-2-4-8-24)26-15-14-23(19-29(26)36)22-6-5-9-25(34)18-22/h2-15,18-19,27,30,34,36H,16-17H2,1H3,(H,32,37).
What are the key properties of 5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one?
5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one has a molecular weight of 492.58 g/mol, XLogP of 6.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one is sourced from PubChem (CID 143299134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).