5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

C23H23N3O5 — CID 2999288

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC1Cc2ccccc2N1C(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C23H23N3O5/c1-14-11-15-5-3-4-6-17(15)26(14)20(27)13-25-21(28)23(2,24-22(25)29)16-7-8-18-19(12-16)31-10-9-30-18/h3-8,12,14H,9-11,13H2,1-2H3,(H,24,29)
InChIKeyQXEYRKSMSVSGRK-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.20
Rot. Bonds3

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 2999288) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID2999288
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC1Cc2ccccc2N1C(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C23H23N3O5/c1-14-11-15-5-3-4-6-17(15)26(14)20(27)13-25-21(28)23(2,24-22(25)29)16-7-8-18-19(12-16)31-10-9-30-18/h3-8,12,14H,9-11,13H2,1-2H3,(H,24,29)
InChIKeyQXEYRKSMSVSGRK-UHFFFAOYSA-N
XLogP2.20
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.20
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 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 2999288) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is CC1Cc2ccccc2N1C(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is QXEYRKSMSVSGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-14-11-15-5-3-4-6-17(15)26(14)20(27)13-25-21(28)23(2,24-22(25)29)16-7-8-18-19(12-16)31-10-9-30-18/h3-8,12,14H,9-11,13H2,1-2H3,(H,24,29).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 421.45 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2999288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).