(3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate

C16H14N2O4 — CID 175521992

IUPAC(3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate
SMILESCC(=O)OC1C(=O)N(c2ccc3ccccc3c2)C(=O)N1C
InChIInChI=1S/C16H14N2O4/c1-10(19)22-15-14(20)18(16(21)17(15)2)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,1-2H3
InChIKeyKWZFULFHWMRQFC-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.13
Rot. Bonds2

About (3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate

(3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate (PubChem CID 175521992) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate.

Molecular Properties

Compound Name(3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate
PubChem CID175521992
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate
SMILESCC(=O)OC1C(=O)N(c2ccc3ccccc3c2)C(=O)N1C
InChIInChI=1S/C16H14N2O4/c1-10(19)22-15-14(20)18(16(21)17(15)2)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,1-2H3
InChIKeyKWZFULFHWMRQFC-UHFFFAOYSA-N
XLogP2.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate?
The IUPAC name of (3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate (CID 175521992) is (3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate.
What is the SMILES notation for (3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate?
The canonical SMILES for (3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate is CC(=O)OC1C(=O)N(c2ccc3ccccc3c2)C(=O)N1C.
What is the InChIKey of (3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate?
The InChIKey is KWZFULFHWMRQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-10(19)22-15-14(20)18(16(21)17(15)2)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,15H,1-2H3.
What are the key properties of (3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate?
(3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate has a molecular weight of 298.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-naphthalen-2-yl-2,5-dioxoimidazolidin-4-yl) acetate is sourced from PubChem (CID 175521992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).