3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one

C17H30N2O — CID 83238792

IUPAC3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C)C(=O)N1C(C)C1CC2CCC1C2
InChIInChI=1S/C17H30N2O/c1-10(2)7-16-18-11(3)17(20)19(16)12(4)15-9-13-5-6-14(15)8-13/h10-16,18H,5-9H2,1-4H3
InChIKeyCNFQNGQZQPINKH-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.00
Rot. Bonds4

About 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one

3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83238792) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
PubChem CID83238792
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C)C(=O)N1C(C)C1CC2CCC1C2
InChIInChI=1S/C17H30N2O/c1-10(2)7-16-18-11(3)17(20)19(16)12(4)15-9-13-5-6-14(15)8-13/h10-16,18H,5-9H2,1-4H3
InChIKeyCNFQNGQZQPINKH-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one with MolForge

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Related Compounds

3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-butyl-2-ethylimidazolidin-4-one
CID 83238654
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylimidazolidin-4-one
CID 83237826
1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
CID 98186157
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
CID 98186158
3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83243465
3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83246924
3-(1-cyclopentylethyl)-2-ethyl-5-methylimidazolidin-4-one
CID 83264545
5-methyl-2-(2-methylpropyl)-3-(oxan-3-yl)imidazolidin-4-one
CID 83263881
3-(2,3-dimethylcyclohexyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83250359
5-methyl-2-(2-methylpropyl)-3-(4-propylcyclohexyl)imidazolidin-4-one
CID 83249194
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazolidin-4-one
CID 83239179
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 54973512

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one (CID 83238792) is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NC(C)C(=O)N1C(C)C1CC2CCC1C2.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is CNFQNGQZQPINKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-10(2)7-16-18-11(3)17(20)19(16)12(4)15-9-13-5-6-14(15)8-13/h10-16,18H,5-9H2,1-4H3.
What are the key properties of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one?
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 278.44 g/mol, XLogP of 3.00, 4 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-methyl-2-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83238792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).