5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione

C25H24N4O2 — CID 35947653

IUPAC5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H]1c1cccnc1
InChIInChI=1S/C25H24N4O2/c30-23-25(20-10-3-1-4-11-20,21-12-5-2-6-13-21)27-24(31)29(23)18-28-16-8-14-22(28)19-9-7-15-26-17-19/h1-7,9-13,15,17,22H,8,14,16,18H2,(H,27,31)/t22-/m1/s1
InChIKeyIMTKZCFJSFKTSP-JOCHJYFZSA-N
MW412.49 g/mol
LogP3.67
Rot. Bonds5

About 5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione

5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 35947653) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID35947653
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H]1c1cccnc1
InChIInChI=1S/C25H24N4O2/c30-23-25(20-10-3-1-4-11-20,21-12-5-2-6-13-21)27-24(31)29(23)18-28-16-8-14-22(28)19-9-7-15-26-17-19/h1-7,9-13,15,17,22H,8,14,16,18H2,(H,27,31)/t22-/m1/s1
InChIKeyIMTKZCFJSFKTSP-JOCHJYFZSA-N
XLogP3.67
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 51644910
3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 25434545
3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 31475425
3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 31475426
3-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 31388680
5-methyl-3-[2-oxo-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 136529802
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 70634417
6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one
CID 171674206
5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-4-ylimidazolidine-2,4-dione
CID 21395250
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 31384492

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione (CID 35947653) is 5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H]1c1cccnc1.
What is the InChIKey of 5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is IMTKZCFJSFKTSP-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24N4O2/c30-23-25(20-10-3-1-4-11-20,21-12-5-2-6-13-21)27-24(31)29(23)18-28-16-8-14-22(28)19-9-7-15-26-17-19/h1-7,9-13,15,17,22H,8,14,16,18H2,(H,27,31)/t22-/m1/s1.
What are the key properties of 5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 412.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 35947653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).