2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one

C14H16N2O3 — CID 106952979

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(C2COc3ccccc3O2)NC1=O
InChIInChI=1S/C14H16N2O3/c1-2-5-9-14(17)16-13(15-9)12-8-18-10-6-3-4-7-11(10)19-12/h3-4,6-7,9,12H,2,5,8H2,1H3,(H,15,16,17)
InChIKeyQQJYYGSIPWDNJK-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.52
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one (PubChem CID 106952979) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
PubChem CID106952979
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(C2COc3ccccc3O2)NC1=O
InChIInChI=1S/C14H16N2O3/c1-2-5-9-14(17)16-13(15-9)12-8-18-10-6-3-4-7-11(10)19-12/h3-4,6-7,9,12H,2,5,8H2,1H3,(H,15,16,17)
InChIKeyQQJYYGSIPWDNJK-UHFFFAOYSA-N
XLogP1.52
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 169153769
CID 169153769
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate
CID 66774628
2-[(5R)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine
CID 53319577
4,4,5-trideuterio-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,5-dihydroimidazole
CID 176790776
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-1H-1,2,4-triazole
CID 61277728
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475236
5-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106479431
2-propyl-1,3-benzodioxole;hydrochloride
CID 172752983
(4R)-2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 40617400
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65351595
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-imidazol-5-yl]methanol
CID 65351596

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one (CID 106952979) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one is CCCC1N=C(C2COc3ccccc3O2)NC1=O.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one?
The InChIKey is QQJYYGSIPWDNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-5-9-14(17)16-13(15-9)12-8-18-10-6-3-4-7-11(10)19-12/h3-4,6-7,9,12H,2,5,8H2,1H3,(H,15,16,17).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one has a molecular weight of 260.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).