1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one

C15H16N2O4 — CID 80580043

IUPAC1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)c2ccc3c(c2)OCO3)c1=O
InChIInChI=1S/C15H16N2O4/c1-2-5-16-6-7-17(15(16)19)9-12(18)11-3-4-13-14(8-11)21-10-20-13/h3-4,6-8H,2,5,9-10H2,1H3
InChIKeyNYFJYZSLZKHBDC-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.67
Rot. Bonds5

About 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one

1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one (PubChem CID 80580043) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one
PubChem CID80580043
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(=O)c2ccc3c(c2)OCO3)c1=O
InChIInChI=1S/C15H16N2O4/c1-2-5-16-6-7-17(15(16)19)9-12(18)11-3-4-13-14(8-11)21-10-20-13/h3-4,6-8H,2,5,9-10H2,1H3
InChIKeyNYFJYZSLZKHBDC-UHFFFAOYSA-N
XLogP1.67
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-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

1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62024301
1-(1,3-benzodioxol-5-yl)-2-(1-propylimidazol-2-yl)sulfanylethanone
CID 51113568
1-(1,3-benzodioxol-5-yl)-2-pyrazol-1-ylethanone
CID 43798084
1-[2-(3-nitrophenyl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80579322
5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 163353551
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanone
CID 82112937
N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-propylazetidine-3-carboxamide
CID 168989867
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-ethoxypropyl)imidazolidine-2,4,5-trione
CID 8006003
1-(1,3-benzodioxol-5-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63635151
ethyl 4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368868
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone
CID 110368863
1,3-bis(1,3-benzodioxol-5-yl)propane-1,3-dione;1-phenyldodecane-1,3-dione
CID 175530623

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one (CID 80580043) is 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one is CCCn1ccn(CC(=O)c2ccc3c(c2)OCO3)c1=O.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one?
The InChIKey is NYFJYZSLZKHBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-5-16-6-7-17(15(16)19)9-12(18)11-3-4-13-14(8-11)21-10-20-13/h3-4,6-8H,2,5,9-10H2,1H3.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one?
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one has a molecular weight of 288.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80580043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).