3-(1-adamantylmethyl)imidazolidine-2,4-dione

C14H20N2O2 — CID 138756927

IUPAC3-(1-adamantylmethyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20N2O2/c17-12-7-15-13(18)16(12)8-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-11H,1-8H2,(H,15,18)
InChIKeyLNGBWZNGIQZEQT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.75
Rot. Bonds2

About 3-(1-adamantylmethyl)imidazolidine-2,4-dione

3-(1-adamantylmethyl)imidazolidine-2,4-dione (PubChem CID 138756927) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(1-adamantylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1-adamantylmethyl)imidazolidine-2,4-dione
PubChem CID138756927
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(1-adamantylmethyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20N2O2/c17-12-7-15-13(18)16(12)8-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-11H,1-8H2,(H,15,18)
InChIKeyLNGBWZNGIQZEQT-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
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-(1-adamantylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(1-adamantylmethyl)imidazolidine-2,4-dione (CID 138756927) is 3-(1-adamantylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(1-adamantylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(1-adamantylmethyl)imidazolidine-2,4-dione is O=C1CNC(=O)N1CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylmethyl)imidazolidine-2,4-dione?
The InChIKey is LNGBWZNGIQZEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-12-7-15-13(18)16(12)8-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-11H,1-8H2,(H,15,18).
What are the key properties of 3-(1-adamantylmethyl)imidazolidine-2,4-dione?
3-(1-adamantylmethyl)imidazolidine-2,4-dione has a molecular weight of 248.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 138756927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).