3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

C26H23N3O3 — CID 4882182

IUPAC3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCCc1cccc2c(C(=O)CN3C(=O)NC(C)(c4cccc5ccccc45)C3=O)c[nH]c12
InChIInChI=1S/C26H23N3O3/c1-3-16-9-6-12-19-20(14-27-23(16)19)22(30)15-29-24(31)26(2,28-25(29)32)21-13-7-10-17-8-4-5-11-18(17)21/h4-14,27H,3,15H2,1-2H3,(H,28,32)
InChIKeyIREKFJBRJWDREZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.53
Rot. Bonds5

About 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 4882182) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID4882182
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCCc1cccc2c(C(=O)CN3C(=O)NC(C)(c4cccc5ccccc45)C3=O)c[nH]c12
InChIInChI=1S/C26H23N3O3/c1-3-16-9-6-12-19-20(14-27-23(16)19)22(30)15-29-24(31)26(2,28-25(29)32)21-13-7-10-17-8-4-5-11-18(17)21/h4-14,27H,3,15H2,1-2H3,(H,28,32)
InChIKeyIREKFJBRJWDREZ-UHFFFAOYSA-N
XLogP4.53
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.53
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-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266372
(5R)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 40881994
(5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 25362421
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359223
(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
(4R)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7168403
(4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9268099
(5R)-5-ethyl-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181283
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 7242837
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
CID 7179916
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42971848

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 4882182) is 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is CCc1cccc2c(C(=O)CN3C(=O)NC(C)(c4cccc5ccccc45)C3=O)c[nH]c12.
What is the InChIKey of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is IREKFJBRJWDREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-3-16-9-6-12-19-20(14-27-23(16)19)22(30)15-29-24(31)26(2,28-25(29)32)21-13-7-10-17-8-4-5-11-18(17)21/h4-14,27H,3,15H2,1-2H3,(H,28,32).
What are the key properties of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 425.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 4882182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).