3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C21H22N2O2 — CID 84601346

IUPAC3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C21H22N2O2/c24-19-21(13-12-17-10-4-5-11-18(17)15-21)22-20(25)23(19)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11H,6,9,12-15H2,(H,22,25)
InChIKeySZLMNUZOTIMIOE-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.10
Rot. Bonds4

About 3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 84601346) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
PubChem CID84601346
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C21H22N2O2/c24-19-21(13-12-17-10-4-5-11-18(17)15-21)22-20(25)23(19)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11H,6,9,12-15H2,(H,22,25)
InChIKeySZLMNUZOTIMIOE-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrantoin
CID 71726
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
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 24818413
3-Hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 4804492
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2087814
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylacetamide
CID 2091432
N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4004542
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4028655
2-(4-Methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4463142

Frequently Asked Questions

What is the IUPAC name of 3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 84601346) is 3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc3C2)C(=O)N1CCCc1ccccc1.
What is the InChIKey of 3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is SZLMNUZOTIMIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-19-21(13-12-17-10-4-5-11-18(17)15-21)22-20(25)23(19)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11H,6,9,12-15H2,(H,22,25).
What are the key properties of 3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 334.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 84601346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).