3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

C18H23N3O3 — CID 51138877

IUPAC3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1(C)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O
InChIInChI=1S/C18H23N3O3/c1-12(2)10-18(3)16(23)21(17(24)19-18)11-15(22)20-9-8-13-6-4-5-7-14(13)20/h4-7,12H,8-11H2,1-3H3,(H,19,24)
InChIKeyHGQAMSVZSYEBMA-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.93
Rot. Bonds4

About 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 51138877) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID51138877
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1(C)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O
InChIInChI=1S/C18H23N3O3/c1-12(2)10-18(3)16(23)21(17(24)19-18)11-15(22)20-9-8-13-6-4-5-7-14(13)20/h4-7,12H,8-11H2,1-3H3,(H,19,24)
InChIKeyHGQAMSVZSYEBMA-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180751
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595801
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-hexyl-5-methylimidazolidine-2,4-dione
CID 51139017
(5R)-5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2083343
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 3963316
(5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2083997
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 112788597
(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2541213
(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2464913
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4804767
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
(5R)-5-benzyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2099184

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 51138877) is 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CC1(C)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O.
What is the InChIKey of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is HGQAMSVZSYEBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)10-18(3)16(23)21(17(24)19-18)11-15(22)20-9-8-13-6-4-5-7-14(13)20/h4-7,12H,8-11H2,1-3H3,(H,19,24).
What are the key properties of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 51138877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).