5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione

C14H16N2O4 — CID 17396815

IUPAC5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C14H16N2O4/c1-3-6-16-12(17)14(2,15-13(16)18)9-4-5-10-11(7-9)20-8-19-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,18)
InChIKeySVVVUJQBIXVNFS-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.59
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione

5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione (PubChem CID 17396815) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
PubChem CID17396815
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C14H16N2O4/c1-3-6-16-12(17)14(2,15-13(16)18)9-4-5-10-11(7-9)20-8-19-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,18)
InChIKeySVVVUJQBIXVNFS-UHFFFAOYSA-N
XLogP1.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 7691962
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 40931059
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 17441791
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7359271
5-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17400223
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359236
ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7692011
(5R)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 36526371
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42976785
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 126829801
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 95301085

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione (CID 17396815) is 5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione is CCCN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione?
The InChIKey is SVVVUJQBIXVNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-6-16-12(17)14(2,15-13(16)18)9-4-5-10-11(7-9)20-8-19-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,18).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione?
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione has a molecular weight of 276.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 17396815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).