3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione

C25H27N3O3 — CID 42984126

IUPAC3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1=O
InChIInChI=1S/C25H27N3O3/c1-3-14-25(15-4-2)23(30)28(24(31)27-25)16-20(29)21-18-12-8-9-13-19(18)26-22(21)17-10-6-5-7-11-17/h5-13,26H,3-4,14-16H2,1-2H3,(H,27,31)
InChIKeyGTOAWHUOEXPIJX-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.91
Rot. Bonds8

About 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione

3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione (PubChem CID 42984126) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
PubChem CID42984126
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1=O
InChIInChI=1S/C25H27N3O3/c1-3-14-25(15-4-2)23(30)28(24(31)27-25)16-20(29)21-18-12-8-9-13-19(18)26-22(21)17-10-6-5-7-11-17/h5-13,26H,3-4,14-16H2,1-2H3,(H,27,31)
InChIKeyGTOAWHUOEXPIJX-UHFFFAOYSA-N
XLogP4.91
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4884583
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 41047442
phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8765116
3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 2579840
1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione
CID 7557969
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one
CID 7529241
3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 29156188
benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617485
1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 9033533
5,5-diethyl-3-[2-(1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7181033
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 135758750
ethyl 4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 51309764

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione (CID 42984126) is 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione is CCCC1(CCC)NC(=O)N(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1=O.
What is the InChIKey of 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione?
The InChIKey is GTOAWHUOEXPIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-3-14-25(15-4-2)23(30)28(24(31)27-25)16-20(29)21-18-12-8-9-13-19(18)26-22(21)17-10-6-5-7-11-17/h5-13,26H,3-4,14-16H2,1-2H3,(H,27,31).
What are the key properties of 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione?
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione has a molecular weight of 417.51 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione is sourced from PubChem (CID 42984126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).