3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione

C28H32N4O4 — CID 25155838

IUPAC3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C([C@@H]1CCCN1C(=O)CCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N1CCCC1
InChIInChI=1S/C28H32N4O4/c33-24(31-19-9-15-23(31)25(34)30-17-7-8-18-30)16-10-20-32-26(35)28(29-27(32)36,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,23H,7-10,15-20H2,(H,29,36)/t23-/m0/s1
InChIKeyPHYVMRFCTLZIHY-QHCPKHFHSA-N
MW488.59 g/mol
LogP2.88
Rot. Bonds7

About 3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione

3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 25155838) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID25155838
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C([C@@H]1CCCN1C(=O)CCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N1CCCC1
InChIInChI=1S/C28H32N4O4/c33-24(31-19-9-15-23(31)25(34)30-17-7-8-18-30)16-10-20-32-26(35)28(29-27(32)36,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,23H,7-10,15-20H2,(H,29,36)/t23-/m0/s1
InChIKeyPHYVMRFCTLZIHY-QHCPKHFHSA-N
XLogP2.88
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(1-piperidinyl)propyl)-
CID 3041343
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
3-Methyl-5,5-diphenylimidazolidine-2,4-dione
CID 77899
3-Hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
5,5-Diphenyl-3-[5-(4-phenylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione
CID 44386517
N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2082034
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylacetamide
CID 2091432
3-Benzyl-5-phenylimidazolidine-2,4-dione
CID 9860116
3-Ethyl-5,5-diphenylimidazolidine-2,4-dione
CID 602103
3-((4-Methyl-1-piperazinyl)methyl)-5,5-diphenyl-2,4-imidazolidinedione
CID 88959
Hydantoin, 3-((diethylamino)methyl)-5,5-diphenyl-
CID 120404

Frequently Asked Questions

What is the IUPAC name of 3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione (CID 25155838) is 3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione is O=C([C@@H]1CCCN1C(=O)CCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N1CCCC1.
What is the InChIKey of 3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is PHYVMRFCTLZIHY-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H32N4O4/c33-24(31-19-9-15-23(31)25(34)30-17-7-8-18-30)16-10-20-32-26(35)28(29-27(32)36,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,23H,7-10,15-20H2,(H,29,36)/t23-/m0/s1.
What are the key properties of 3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 488.59 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 25155838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).