1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one

C13H16N2O3 — CID 167940830

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one
SMILESO=C1CN(CCc2ccc3c(c2)OCCO3)CN1
InChIInChI=1S/C13H16N2O3/c16-13-8-15(9-14-13)4-3-10-1-2-11-12(7-10)18-6-5-17-11/h1-2,7H,3-6,8-9H2,(H,14,16)
InChIKeyYIAZBUUOZYSEIJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.39
Rot. Bonds3

About 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one (PubChem CID 167940830) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one
PubChem CID167940830
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one
SMILESO=C1CN(CCc2ccc3c(c2)OCCO3)CN1
InChIInChI=1S/C13H16N2O3/c16-13-8-15(9-14-13)4-3-10-1-2-11-12(7-10)18-6-5-17-11/h1-2,7H,3-6,8-9H2,(H,14,16)
InChIKeyYIAZBUUOZYSEIJ-UHFFFAOYSA-N
XLogP0.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione
CID 63788370
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione
CID 79777063
1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
CID 118724005
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-3-amine
CID 43315124
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1,4-diazepane
CID 64940363
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione
CID 65442473
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane
CID 64940361
3-bromo-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-2-one
CID 63788049
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,1-diol
CID 163584472

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one (CID 167940830) is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one is O=C1CN(CCc2ccc3c(c2)OCCO3)CN1.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one?
The InChIKey is YIAZBUUOZYSEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-13-8-15(9-14-13)4-3-10-1-2-11-12(7-10)18-6-5-17-11/h1-2,7H,3-6,8-9H2,(H,14,16).
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one?
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one has a molecular weight of 248.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one is sourced from PubChem (CID 167940830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).