3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one

C18H26N2O — CID 83269785

IUPAC3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
SMILESCc1ccc(C)c(C2NCC(=O)N2C2CCCC2(C)C)c1
InChIInChI=1S/C18H26N2O/c1-12-7-8-13(2)14(10-12)17-19-11-16(21)20(17)15-6-5-9-18(15,3)4/h7-8,10,15,17,19H,5-6,9,11H2,1-4H3
InChIKeyVTBZMQJZPZOKHD-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.31
Rot. Bonds2

About 3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one

3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one (PubChem CID 83269785) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
PubChem CID83269785
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
SMILESCc1ccc(C)c(C2NCC(=O)N2C2CCCC2(C)C)c1
InChIInChI=1S/C18H26N2O/c1-12-7-8-13(2)14(10-12)17-19-11-16(21)20(17)15-6-5-9-18(15,3)4/h7-8,10,15,17,19H,5-6,9,11H2,1-4H3
InChIKeyVTBZMQJZPZOKHD-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one (CID 83269785) is 3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one is Cc1ccc(C)c(C2NCC(=O)N2C2CCCC2(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one?
The InChIKey is VTBZMQJZPZOKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-7-8-13(2)14(10-12)17-19-11-16(21)20(17)15-6-5-9-18(15,3)4/h7-8,10,15,17,19H,5-6,9,11H2,1-4H3.
What are the key properties of 3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one?
3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one has a molecular weight of 286.42 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopentyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83269785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).