1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione

C20H17N3O5 — CID 9320637

IUPAC1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESCCc1cccc2c(C(=O)CN3C(=O)C(=O)N(Cc4ccco4)C3=O)c[nH]c12
InChIInChI=1S/C20H17N3O5/c1-2-12-5-3-7-14-15(9-21-17(12)14)16(24)11-23-19(26)18(25)22(20(23)27)10-13-6-4-8-28-13/h3-9,21H,2,10-11H2,1H3
InChIKeyWTIQCRWZDUEKOU-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.50
Rot. Bonds6

About 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione

1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 9320637) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID9320637
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESCCc1cccc2c(C(=O)CN3C(=O)C(=O)N(Cc4ccco4)C3=O)c[nH]c12
InChIInChI=1S/C20H17N3O5/c1-2-12-5-3-7-14-15(9-21-17(12)14)16(24)11-23-19(26)18(25)22(20(23)27)10-13-6-4-8-28-13/h3-9,21H,2,10-11H2,1H3
InChIKeyWTIQCRWZDUEKOU-UHFFFAOYSA-N
XLogP2.50
TPSA103.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone
CID 18094285
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266372
1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 2572518
8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3217744
N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374600
2-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione
CID 7233446
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 4882182
N-tert-butyl-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374605
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 9374673
(5R)-5-ethyl-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181283
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626457
(4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7168399

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione (CID 9320637) is 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione is CCc1cccc2c(C(=O)CN3C(=O)C(=O)N(Cc4ccco4)C3=O)c[nH]c12.
What is the InChIKey of 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is WTIQCRWZDUEKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-2-12-5-3-7-14-15(9-21-17(12)14)16(24)11-23-19(26)18(25)22(20(23)27)10-13-6-4-8-28-13/h3-9,21H,2,10-11H2,1H3.
What are the key properties of 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione?
1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 379.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 9320637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).