4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one

C14H18N2O3 — CID 116980972

IUPAC4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one
SMILESCCN1CC(c2ccc3c(c2)OCCCO3)NC1=O
InChIInChI=1S/C14H18N2O3/c1-2-16-9-11(15-14(16)17)10-4-5-12-13(8-10)19-7-3-6-18-12/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,15,17)
InChIKeyAZTRBPNIXXUWET-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.93
Rot. Bonds2

About 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one (PubChem CID 116980972) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one
PubChem CID116980972
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one
SMILESCCN1CC(c2ccc3c(c2)OCCCO3)NC1=O
InChIInChI=1S/C14H18N2O3/c1-2-16-9-11(15-14(16)17)10-4-5-12-13(8-10)19-7-3-6-18-12/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,15,17)
InChIKeyAZTRBPNIXXUWET-UHFFFAOYSA-N
XLogP1.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylimidazolidin-2-one
CID 116981042
1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one
CID 116981024
1-(2-aminopropyl)-4-(2,3-dihydro-1-benzofuran-5-yl)imidazolidin-2-one
CID 116978412
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethylpyrrolidin-2-one
CID 66106342
4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116978273
5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 82158646
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-methyl-1,4-thiazepane 1,1-dioxide
CID 66229507
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390221
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-sulfanylideneimidazolidin-4-one
CID 82997073
1-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
CID 9455946
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-imino-1-methylimidazolidin-2-one
CID 138388244
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylcyclobutan-1-one
CID 81415943

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one?
The IUPAC name of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one (CID 116980972) is 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one?
The canonical SMILES for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one is CCN1CC(c2ccc3c(c2)OCCCO3)NC1=O.
What is the InChIKey of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one?
The InChIKey is AZTRBPNIXXUWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-16-9-11(15-14(16)17)10-4-5-12-13(8-10)19-7-3-6-18-12/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,15,17).
What are the key properties of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one?
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one is sourced from PubChem (CID 116980972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).