5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one

C18H26N2O — CID 83268418

IUPAC5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one
SMILESCC1CCCCCC1N1CNC(Cc2ccccc2)C1=O
InChIInChI=1S/C18H26N2O/c1-14-8-4-2-7-11-17(14)20-13-19-16(18(20)21)12-15-9-5-3-6-10-15/h3,5-6,9-10,14,16-17,19H,2,4,7-8,11-13H2,1H3
InChIKeyQTADDCUCVQFRPH-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.96
Rot. Bonds3

About 5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one

5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one (PubChem CID 83268418) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one
PubChem CID83268418
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one
SMILESCC1CCCCCC1N1CNC(Cc2ccccc2)C1=O
InChIInChI=1S/C18H26N2O/c1-14-8-4-2-7-11-17(14)20-13-19-16(18(20)21)12-15-9-5-3-6-10-15/h3,5-6,9-10,14,16-17,19H,2,4,7-8,11-13H2,1H3
InChIKeyQTADDCUCVQFRPH-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one
CID 83263637
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione
CID 64969237
1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59299356
3-cyclopentyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114921872
3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
CID 64958470
(3S,6R,12R,15R,18R)-3,12-dibenzyl-15-methyl-1,4,10,13,16-pentazatricyclo[16.3.0.06,10]henicosane-2,5,11,14,17-pentone
CID 162933338
3-benzyl-1-cyclobutylpiperazine-2,5-dione
CID 64969345
5-benzyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one
CID 83253471
5-benzyl-2-methyl-3-(2-methylcyclopropyl)imidazolidin-4-one
CID 83254666
(3S,6R,9S,12R)-3,9-dibenzyl-6-[(4-methylphenyl)methyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
CID 167160882
5-benzyl-3-(1-methoxypropan-2-yl)imidazolidin-4-one
CID 83239712
5-benzyl-3-[4-(dimethylamino)butyl]imidazolidin-4-one
CID 83246662

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one?
The IUPAC name of 5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one (CID 83268418) is 5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one is CC1CCCCCC1N1CNC(Cc2ccccc2)C1=O.
What is the InChIKey of 5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one?
The InChIKey is QTADDCUCVQFRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-8-4-2-7-11-17(14)20-13-19-16(18(20)21)12-15-9-5-3-6-10-15/h3,5-6,9-10,14,16-17,19H,2,4,7-8,11-13H2,1H3.
What are the key properties of 5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one?
5-benzyl-3-(2-methylcycloheptyl)imidazolidin-4-one has a molecular weight of 286.42 g/mol, XLogP of 2.96, 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-methylcycloheptyl)imidazolidin-4-one is sourced from PubChem (CID 83268418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).