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

C24H25N3O5 — CID 25362421

IUPAC(5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1cccc2c(C(=O)CN3C(=O)N[C@@](C)(c4ccc(OC)c(OC)c4)C3=O)c[nH]c12
InChIInChI=1S/C24H25N3O5/c1-5-14-7-6-8-16-17(12-25-21(14)16)18(28)13-27-22(29)24(2,26-23(27)30)15-9-10-19(31-3)20(11-15)32-4/h6-12,25H,5,13H2,1-4H3,(H,26,30)/t24-/m0/s1
InChIKeyZNJXUPLTVKEHDY-DEOSSOPVSA-N
MW435.48 g/mol
LogP3.40
Rot. Bonds7

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

(5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 25362421) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is (5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID25362421
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name(5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1cccc2c(C(=O)CN3C(=O)N[C@@](C)(c4ccc(OC)c(OC)c4)C3=O)c[nH]c12
InChIInChI=1S/C24H25N3O5/c1-5-14-7-6-8-16-17(12-25-21(14)16)18(28)13-27-22(29)24(2,26-23(27)30)15-9-10-19(31-3)20(11-15)32-4/h6-12,25H,5,13H2,1-4H3,(H,26,30)/t24-/m0/s1
InChIKeyZNJXUPLTVKEHDY-DEOSSOPVSA-N
XLogP3.40
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.40
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-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359223
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
(5S)-5-(3,4-dimethoxyphenyl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7872893
(5R)-5-ethyl-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181283
5-(3,4-dimethoxyphenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 42915163
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793497
(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
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 18774902
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 18099222

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 25362421) is (5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CCc1cccc2c(C(=O)CN3C(=O)N[C@@](C)(c4ccc(OC)c(OC)c4)C3=O)c[nH]c12.
What is the InChIKey of (5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZNJXUPLTVKEHDY-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-5-14-7-6-8-16-17(12-25-21(14)16)18(28)13-27-22(29)24(2,26-23(27)30)15-9-10-19(31-3)20(11-15)32-4/h6-12,25H,5,13H2,1-4H3,(H,26,30)/t24-/m0/s1.
What are the key properties of (5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 435.48 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 25362421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).