3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one

C18H32N2O — CID 83238654

IUPAC3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one
SMILESCCCCC1NC(CC)N(C(C)C2CC3CCC2C3)C1=O
InChIInChI=1S/C18H32N2O/c1-4-6-7-16-18(21)20(17(5-2)19-16)12(3)15-11-13-8-9-14(15)10-13/h12-17,19H,4-11H2,1-3H3
InChIKeySXRNACLLRXDMNN-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.54
Rot. Bonds6

About 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one

3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one (PubChem CID 83238654) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one
PubChem CID83238654
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one
SMILESCCCCC1NC(CC)N(C(C)C2CC3CCC2C3)C1=O
InChIInChI=1S/C18H32N2O/c1-4-6-7-16-18(21)20(17(5-2)19-16)12(3)15-11-13-8-9-14(15)10-13/h12-17,19H,4-11H2,1-3H3
InChIKeySXRNACLLRXDMNN-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83238792
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-5-propylimidazolidin-4-one
CID 83256941
5-butyl-2-ethyl-3-(1-piperidin-1-ylpropan-2-yl)imidazolidin-4-one
CID 83252669
3-(1-cyclopropylethyl)-2,5-dipropylimidazolidin-4-one
CID 83243771
3-(dicyclopropylmethyl)-2-ethyl-5-propylimidazolidin-4-one
CID 83253528
5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one
CID 83264217
5-butyl-2-ethyl-3-(3-ethylcyclohexyl)imidazolidin-4-one
CID 83258233
5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83243202
5-butyl-3-(3,3-dimethylbutan-2-yl)-2-propylimidazolidin-4-one
CID 104830708
5-butyl-3-(2-methylpentan-3-yl)-2-propylimidazolidin-4-one
CID 83245310
5-butyl-2-ethyl-3-(4-methylcyclohexyl)imidazolidin-4-one
CID 83238921
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
CID 98186158

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one (CID 83238654) is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one is CCCCC1NC(CC)N(C(C)C2CC3CCC2C3)C1=O.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one?
The InChIKey is SXRNACLLRXDMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-6-7-16-18(21)20(17(5-2)19-16)12(3)15-11-13-8-9-14(15)10-13/h12-17,19H,4-11H2,1-3H3.
What are the key properties of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one?
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one has a molecular weight of 292.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one is sourced from PubChem (CID 83238654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).