(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C23H21N3O5 — CID 7359223

IUPAC(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1cccc2c(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)c[nH]c12
InChIInChI=1S/C23H21N3O5/c1-3-13-5-4-6-15-16(10-24-20(13)15)17(27)11-26-21(28)23(2,25-22(26)29)14-7-8-18-19(9-14)31-12-30-18/h4-10,24H,3,11-12H2,1-2H3,(H,25,29)/t23-/m0/s1
InChIKeyGCGNTFIXFWMZTP-QHCPKHFHSA-N
MW419.44 g/mol
LogP3.11
Rot. Bonds5

About (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7359223) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID7359223
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1cccc2c(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)c[nH]c12
InChIInChI=1S/C23H21N3O5/c1-3-13-5-4-6-15-16(10-24-20(13)15)17(27)11-26-21(28)23(2,25-22(26)29)14-7-8-18-19(9-14)31-12-30-18/h4-10,24H,3,11-12H2,1-2H3,(H,25,29)/t23-/m0/s1
InChIKeyGCGNTFIXFWMZTP-QHCPKHFHSA-N
XLogP3.11
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266372
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 4882182
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359170
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 17411442
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359236
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17452081
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 7691962
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 40931059
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 17441791
(4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9268099

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 7359223) is (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CCc1cccc2c(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)c[nH]c12.
What is the InChIKey of (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GCGNTFIXFWMZTP-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-3-13-5-4-6-15-16(10-24-20(13)15)17(27)11-26-21(28)23(2,25-22(26)29)14-7-8-18-19(9-14)31-12-30-18/h4-10,24H,3,11-12H2,1-2H3,(H,25,29)/t23-/m0/s1.
What are the key properties of (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 419.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7359223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).