1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one

C17H18N2O2 — CID 80580603

IUPAC1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one
SMILESCCn1ccn(CC(O)c2ccc3ccccc3c2)c1=O
InChIInChI=1S/C17H18N2O2/c1-2-18-9-10-19(17(18)21)12-16(20)15-8-7-13-5-3-4-6-14(13)11-15/h3-11,16,20H,2,12H2,1H3
InChIKeyNYANMXZHZGENEF-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.56
Rot. Bonds4

About 1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one

1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one (PubChem CID 80580603) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one
PubChem CID80580603
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one
SMILESCCn1ccn(CC(O)c2ccc3ccccc3c2)c1=O
InChIInChI=1S/C17H18N2O2/c1-2-18-9-10-19(17(18)21)12-16(20)15-8-7-13-5-3-4-6-14(13)11-15/h3-11,16,20H,2,12H2,1H3
InChIKeyNYANMXZHZGENEF-UHFFFAOYSA-N
XLogP2.56
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyridin-2-one
CID 62963596
3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one
CID 63769203
3-(2-hydroxy-2-naphthalen-2-ylethyl)-1-methylimidazolidine-2,4-dione
CID 60969409
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
2-(2-hydroxy-2-naphthalen-2-ylethyl)pyridazin-3-one
CID 62849976
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one
CID 63100802
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
CID 55115850
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one (CID 80580603) is 1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one is CCn1ccn(CC(O)c2ccc3ccccc3c2)c1=O.
What is the InChIKey of 1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one?
The InChIKey is NYANMXZHZGENEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-18-9-10-19(17(18)21)12-16(20)15-8-7-13-5-3-4-6-14(13)11-15/h3-11,16,20H,2,12H2,1H3.
What are the key properties of 1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one?
1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxy-2-naphthalen-2-ylethyl)imidazol-2-one is sourced from PubChem (CID 80580603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).