2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one

C18H26N2O — CID 83237227

IUPAC2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one
SMILESCCc1ccc(C2NCC(=O)N2C2CCCCC2C)cc1
InChIInChI=1S/C18H26N2O/c1-3-14-8-10-15(11-9-14)18-19-12-17(21)20(18)16-7-5-4-6-13(16)2/h8-11,13,16,18-19H,3-7,12H2,1-2H3
InChIKeyMCBXBWBBLUJPLY-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.26
Rot. Bonds3

About 2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one

2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one (PubChem CID 83237227) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one
PubChem CID83237227
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one
SMILESCCc1ccc(C2NCC(=O)N2C2CCCCC2C)cc1
InChIInChI=1S/C18H26N2O/c1-3-14-8-10-15(11-9-14)18-19-12-17(21)20(18)16-7-5-4-6-13(16)2/h8-11,13,16,18-19H,3-7,12H2,1-2H3
InChIKeyMCBXBWBBLUJPLY-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one (CID 83237227) is 2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one is CCc1ccc(C2NCC(=O)N2C2CCCCC2C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one?
The InChIKey is MCBXBWBBLUJPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-14-8-10-15(11-9-14)18-19-12-17(21)20(18)16-7-5-4-6-13(16)2/h8-11,13,16,18-19H,3-7,12H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one?
2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one has a molecular weight of 286.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one is sourced from PubChem (CID 83237227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).