3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione

C25H32N2O2 — CID 11417958

IUPAC3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
SMILESCCCCCCCCCC1(c2ccccc2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C25H32N2O2/c1-2-3-4-5-6-7-14-19-25(22-17-12-9-13-18-22)23(28)27(24(29)26-25)20-21-15-10-8-11-16-21/h8-13,15-18H,2-7,14,19-20H2,1H3,(H,26,29)
InChIKeyTXPBTEHBCOSBGP-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.77
Rot. Bonds11

About 3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione

3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione (PubChem CID 11417958) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
PubChem CID11417958
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
SMILESCCCCCCCCCC1(c2ccccc2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C25H32N2O2/c1-2-3-4-5-6-7-14-19-25(22-17-12-9-13-18-22)23(28)27(24(29)26-25)20-21-15-10-8-11-16-21/h8-13,15-18H,2-7,14,19-20H2,1H3,(H,26,29)
InChIKeyTXPBTEHBCOSBGP-UHFFFAOYSA-N
XLogP5.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
CID 70690995
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 25465314
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927
4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide
CID 40820348
3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one
CID 145460479
4-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-N-hydroxybenzamide
CID 164617546
(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-heptyl-5-phenylimidazolidine-2,4-dione
CID 11330140
(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7621342

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione (CID 11417958) is 3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione is CCCCCCCCCC1(c2ccccc2)NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is TXPBTEHBCOSBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-2-3-4-5-6-7-14-19-25(22-17-12-9-13-18-22)23(28)27(24(29)26-25)20-21-15-10-8-11-16-21/h8-13,15-18H,2-7,14,19-20H2,1H3,(H,26,29).
What are the key properties of 3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione?
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 392.54 g/mol, XLogP of 5.77, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 11417958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).