3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione

C16H16N2O2 — CID 60836097

IUPAC3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1CC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C16H16N2O2/c1-11(2)17-10-15(19)18(16(17)20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3
InChIKeyCPFTXPBBMWCISW-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.02
Rot. Bonds2

About 3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione

3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione (PubChem CID 60836097) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione
PubChem CID60836097
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1CC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C16H16N2O2/c1-11(2)17-10-15(19)18(16(17)20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3
InChIKeyCPFTXPBBMWCISW-UHFFFAOYSA-N
XLogP3.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione (CID 60836097) is 3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione is CC(C)N1CC(=O)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of 3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is CPFTXPBBMWCISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(2)17-10-15(19)18(16(17)20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione?
3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 268.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 60836097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).