3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione

C31H35N3O3 — CID 3043738

IUPAC3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CCCN3CCC(O)(c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C31H35N3O3/c1-23-9-13-26(14-10-23)31(27-15-11-24(2)12-16-27)28(35)34(29(36)32-31)20-6-19-33-21-17-30(37,18-22-33)25-7-4-3-5-8-25/h3-5,7-16,37H,6,17-22H2,1-2H3,(H,32,36)
InChIKeyGMALMGHBFDAATJ-UHFFFAOYSA-N
MW497.64 g/mol
LogP4.47
Rot. Bonds7

About 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione

3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 3043738) has the molecular formula C31H35N3O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID3043738
Molecular FormulaC31H35N3O3
Molecular Weight497.64 g/mol
Exact Mass497.27
IUPAC Name3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CCCN3CCC(O)(c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C31H35N3O3/c1-23-9-13-26(14-10-23)31(27-15-11-24(2)12-16-27)28(35)34(29(36)32-31)20-6-19-33-21-17-30(37,18-22-33)25-7-4-3-5-8-25/h3-5,7-16,37H,6,17-22H2,1-2H3,(H,32,36)
InChIKeyGMALMGHBFDAATJ-UHFFFAOYSA-N
XLogP4.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione (CID 3043738) is 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CCCN3CCC(O)(c4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is GMALMGHBFDAATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3/c1-23-9-13-26(14-10-23)31(27-15-11-24(2)12-16-27)28(35)34(29(36)32-31)20-6-19-33-21-17-30(37,18-22-33)25-7-4-3-5-8-25/h3-5,7-16,37H,6,17-22H2,1-2H3,(H,32,36).
What are the key properties of 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione?
3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 497.64 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 3043738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).