3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one

C17H24N2O — CID 83247393

IUPAC3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)cc2)N(C2CC2(C)C)C1=O
InChIInChI=1S/C17H24N2O/c1-5-13-16(20)19(14-10-17(14,3)4)15(18-13)12-8-6-11(2)7-9-12/h6-9,13-15,18H,5,10H2,1-4H3
InChIKeyCEXIWAPDPVAKCV-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.00
Rot. Bonds3

About 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one

3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one (PubChem CID 83247393) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one
PubChem CID83247393
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)cc2)N(C2CC2(C)C)C1=O
InChIInChI=1S/C17H24N2O/c1-5-13-16(20)19(14-10-17(14,3)4)15(18-13)12-8-6-11(2)7-9-12/h6-9,13-15,18H,5,10H2,1-4H3
InChIKeyCEXIWAPDPVAKCV-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one (CID 83247393) is 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one is CCC1NC(c2ccc(C)cc2)N(C2CC2(C)C)C1=O.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one?
The InChIKey is CEXIWAPDPVAKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-13-16(20)19(14-10-17(14,3)4)15(18-13)12-8-6-11(2)7-9-12/h6-9,13-15,18H,5,10H2,1-4H3.
What are the key properties of 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one?
3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one has a molecular weight of 272.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83247393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).