3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one

C16H28N2O — CID 83256940

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC)C(=O)N1CC1CC2CCC1C2
InChIInChI=1S/C16H28N2O/c1-3-5-15-17-14(4-2)16(19)18(15)10-13-9-11-6-7-12(13)8-11/h11-15,17H,3-10H2,1-2H3
InChIKeyJBUOYIJUVFSUOD-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.76
Rot. Bonds5

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one

3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one (PubChem CID 83256940) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one
PubChem CID83256940
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC)C(=O)N1CC1CC2CCC1C2
InChIInChI=1S/C16H28N2O/c1-3-5-15-17-14(4-2)16(19)18(15)10-13-9-11-6-7-12(13)8-11/h11-15,17H,3-10H2,1-2H3
InChIKeyJBUOYIJUVFSUOD-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-5-propylimidazolidin-4-one
CID 83256941
3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one
CID 107421422
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270759
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one
CID 83257279
5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 114137900
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
5-ethyl-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248789
5-ethyl-3-(3-methylcyclopentyl)-2-propylimidazolidin-4-one
CID 114552240
5-butyl-2-propyl-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83269331
3-(dicyclopropylmethyl)-5-ethyl-2-propylimidazolidin-4-one
CID 83253526
5-benzyl-3-(cyclopropylmethyl)-2-propylimidazolidin-4-one
CID 83251332
3-(cyclohexylmethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83244505

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one (CID 83256940) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one is CCCC1NC(CC)C(=O)N1CC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one?
The InChIKey is JBUOYIJUVFSUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-5-15-17-14(4-2)16(19)18(15)10-13-9-11-6-7-12(13)8-11/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one?
3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one has a molecular weight of 264.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-ethyl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83256940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).