4-naphthalen-1-ylimidazolidin-2-one

C13H12N2O — CID 116855877

IUPAC4-naphthalen-1-ylimidazolidin-2-one
SMILESO=C1NCC(c2cccc3ccccc23)N1
InChIInChI=1S/C13H12N2O/c16-13-14-8-12(15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H2,14,15,16)
InChIKeyADURTTOVOUSWDY-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.19
Rot. Bonds1

About 4-naphthalen-1-ylimidazolidin-2-one

4-naphthalen-1-ylimidazolidin-2-one (PubChem CID 116855877) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-naphthalen-1-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-naphthalen-1-ylimidazolidin-2-one
PubChem CID116855877
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-naphthalen-1-ylimidazolidin-2-one
SMILESO=C1NCC(c2cccc3ccccc23)N1
InChIInChI=1S/C13H12N2O/c16-13-14-8-12(15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H2,14,15,16)
InChIKeyADURTTOVOUSWDY-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylimidazolidin-2-one?
The IUPAC name of 4-naphthalen-1-ylimidazolidin-2-one (CID 116855877) is 4-naphthalen-1-ylimidazolidin-2-one.
What is the SMILES notation for 4-naphthalen-1-ylimidazolidin-2-one?
The canonical SMILES for 4-naphthalen-1-ylimidazolidin-2-one is O=C1NCC(c2cccc3ccccc23)N1.
What is the InChIKey of 4-naphthalen-1-ylimidazolidin-2-one?
The InChIKey is ADURTTOVOUSWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-14-8-12(15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H2,14,15,16).
What are the key properties of 4-naphthalen-1-ylimidazolidin-2-one?
4-naphthalen-1-ylimidazolidin-2-one has a molecular weight of 212.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylimidazolidin-2-one is sourced from PubChem (CID 116855877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).