3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione

C22H23N3O5 — CID 3955456

IUPAC3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1OC
InChIInChI=1S/C22H23N3O5/c1-22(15-8-9-17(29-2)18(12-15)30-3)20(27)25(21(28)23-22)13-19(26)24-11-10-14-6-4-5-7-16(14)24/h4-9,12H,10-11,13H2,1-3H3,(H,23,28)
InChIKeyLIOMNGFGFJIRPM-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.06
Rot. Bonds5

About 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione

3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 3955456) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID3955456
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1OC
InChIInChI=1S/C22H23N3O5/c1-22(15-8-9-17(29-2)18(12-15)30-3)20(27)25(21(28)23-22)13-19(26)24-11-10-14-6-4-5-7-16(14)24/h4-9,12H,10-11,13H2,1-3H3,(H,23,28)
InChIKeyLIOMNGFGFJIRPM-UHFFFAOYSA-N
XLogP2.06
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 3955456) is 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1OC.
What is the InChIKey of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is LIOMNGFGFJIRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-22(15-8-9-17(29-2)18(12-15)30-3)20(27)25(21(28)23-22)13-19(26)24-11-10-14-6-4-5-7-16(14)24/h4-9,12H,10-11,13H2,1-3H3,(H,23,28).
What are the key properties of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 409.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 3955456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).