3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one

C17H22N2O2 — CID 114927820

IUPAC3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one
SMILESO=C1C(CCc2ccccc2)NCN1C1CC2CCC1O2
InChIInChI=1S/C17H22N2O2/c20-17-14(8-6-12-4-2-1-3-5-12)18-11-19(17)15-10-13-7-9-16(15)21-13/h1-5,13-16,18H,6-11H2
InChIKeyKOMSXUYXGLETKU-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds4

About 3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one

3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one (PubChem CID 114927820) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one
PubChem CID114927820
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one
SMILESO=C1C(CCc2ccccc2)NCN1C1CC2CCC1O2
InChIInChI=1S/C17H22N2O2/c20-17-14(8-6-12-4-2-1-3-5-12)18-11-19(17)15-10-13-7-9-16(15)21-13/h1-5,13-16,18H,6-11H2
InChIKeyKOMSXUYXGLETKU-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114921872
3-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 18720114
5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one
CID 83268418
3-benzyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,4-diazepane
CID 80725354
3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one
CID 114923850
3-(2-methylpentan-3-yl)-5-(2-phenylethyl)imidazolidin-4-one
CID 114923519
5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one
CID 83263637
3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione
CID 80733238
1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one
CID 80732803
1-methyl-3-(2-phenylethyl)pyrrolidin-2-one
CID 24974613
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
3-(cyclopropylmethyl)-2-ethyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114922068

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one?
The IUPAC name of 3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one (CID 114927820) is 3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one.
What is the SMILES notation for 3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one?
The canonical SMILES for 3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one is O=C1C(CCc2ccccc2)NCN1C1CC2CCC1O2.
What is the InChIKey of 3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one?
The InChIKey is KOMSXUYXGLETKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-17-14(8-6-12-4-2-1-3-5-12)18-11-19(17)15-10-13-7-9-16(15)21-13/h1-5,13-16,18H,6-11H2.
What are the key properties of 3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one?
3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one has a molecular weight of 286.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(2-phenylethyl)imidazolidin-4-one is sourced from PubChem (CID 114927820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).