1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione

C23H21N3O4 — CID 7557969

IUPAC1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1=O
InChIInChI=1S/C23H21N3O4/c1-14(2)12-25-21(28)22(29)26(23(25)30)13-18(27)19-16-10-6-7-11-17(16)24-20(19)15-8-4-3-5-9-15/h3-11,14,24H,12-13H2,1-2H3
InChIKeyRJQZLPJVJHSMIQ-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.46
Rot. Bonds6

About 1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione

1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione (PubChem CID 7557969) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione
PubChem CID7557969
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1=O
InChIInChI=1S/C23H21N3O4/c1-14(2)12-25-21(28)22(29)26(23(25)30)13-18(27)19-16-10-6-7-11-17(16)24-20(19)15-8-4-3-5-9-15/h3-11,14,24H,12-13H2,1-2H3
InChIKeyRJQZLPJVJHSMIQ-UHFFFAOYSA-N
XLogP3.46
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione (CID 7557969) is 1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione is CC(C)CN1C(=O)C(=O)N(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is RJQZLPJVJHSMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-14(2)12-25-21(28)22(29)26(23(25)30)13-18(27)19-16-10-6-7-11-17(16)24-20(19)15-8-4-3-5-9-15/h3-11,14,24H,12-13H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione?
1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 403.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7557969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).