5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one

C18H26N2O — CID 83263637

IUPAC5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one
SMILESCC1CCC(N2CNC(Cc3ccccc3)C2=O)CC1C
InChIInChI=1S/C18H26N2O/c1-13-8-9-16(10-14(13)2)20-12-19-17(18(20)21)11-15-6-4-3-5-7-15/h3-7,13-14,16-17,19H,8-12H2,1-2H3
InChIKeyQLELSQAOIVEWIU-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.81
Rot. Bonds3

About 5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one

5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one (PubChem CID 83263637) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one
PubChem CID83263637
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one
SMILESCC1CCC(N2CNC(Cc3ccccc3)C2=O)CC1C
InChIInChI=1S/C18H26N2O/c1-13-8-9-16(10-14(13)2)20-12-19-17(18(20)21)11-15-6-4-3-5-7-15/h3-7,13-14,16-17,19H,8-12H2,1-2H3
InChIKeyQLELSQAOIVEWIU-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one?
The IUPAC name of 5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one (CID 83263637) is 5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one is CC1CCC(N2CNC(Cc3ccccc3)C2=O)CC1C.
What is the InChIKey of 5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one?
The InChIKey is QLELSQAOIVEWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-8-9-16(10-14(13)2)20-12-19-17(18(20)21)11-15-6-4-3-5-7-15/h3-7,13-14,16-17,19H,8-12H2,1-2H3.
What are the key properties of 5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one?
5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one has a molecular weight of 286.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(3,4-dimethylcyclohexyl)imidazolidin-4-one is sourced from PubChem (CID 83263637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).