5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one

C18H24N2O — CID 83267659

IUPAC5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one
SMILESCC1NC(Cc2ccccc2)C(=O)N1C1CC2CCC1C2
InChIInChI=1S/C18H24N2O/c1-12-19-16(10-13-5-3-2-4-6-13)18(21)20(12)17-11-14-7-8-15(17)9-14/h2-6,12,14-17,19H,7-11H2,1H3
InChIKeyWWOIHCLIFPHXLF-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds3

About 5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one

5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one (PubChem CID 83267659) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one
PubChem CID83267659
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one
SMILESCC1NC(Cc2ccccc2)C(=O)N1C1CC2CCC1C2
InChIInChI=1S/C18H24N2O/c1-12-19-16(10-13-5-3-2-4-6-13)18(21)20(12)17-11-14-7-8-15(17)9-14/h2-6,12,14-17,19H,7-11H2,1H3
InChIKeyWWOIHCLIFPHXLF-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-2-methyl-3-(2-methylcyclopropyl)imidazolidin-4-one
CID 83254666
5-benzyl-2-methyl-3-(2-methyloxolan-3-yl)imidazolidin-4-one
CID 83260373
5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one
CID 83238383
5-benzyl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83252653
5-benzyl-3-cyclopropyl-2-ethylimidazolidin-4-one
CID 83242720
3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione
CID 64900807
3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
CID 64958470
5-benzyl-3-(2,2-difluoroethyl)-2-methylimidazolidin-4-one
CID 83270412
5-benzyl-3-hexan-2-yl-2-methylimidazolidin-4-one
CID 83253722
5-benzyl-3-cyclobutyl-2-propylimidazolidin-4-one
CID 83255145
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione
CID 64969237
(3S,6R,7S,8aS)-3-benzyl-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 23863736

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one (CID 83267659) is 5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one is CC1NC(Cc2ccccc2)C(=O)N1C1CC2CCC1C2.
What is the InChIKey of 5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one?
The InChIKey is WWOIHCLIFPHXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-19-16(10-13-5-3-2-4-6-13)18(21)20(12)17-11-14-7-8-15(17)9-14/h2-6,12,14-17,19H,7-11H2,1H3.
What are the key properties of 5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one?
5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one has a molecular weight of 284.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-bicyclo[2.2.1]heptanyl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 83267659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).