3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one

C16H22N2O — CID 114552517

IUPAC3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one
SMILESCC1(C)CCC(N2CNC(c3ccccc3)C2=O)C1
InChIInChI=1S/C16H22N2O/c1-16(2)9-8-13(10-16)18-11-17-14(15(18)19)12-6-4-3-5-7-12/h3-7,13-14,17H,8-11H2,1-2H3
InChIKeyPYDFDHIJNUQURU-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.70
Rot. Bonds2

About 3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one

3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one (PubChem CID 114552517) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one
PubChem CID114552517
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one
SMILESCC1(C)CCC(N2CNC(c3ccccc3)C2=O)C1
InChIInChI=1S/C16H22N2O/c1-16(2)9-8-13(10-16)18-11-17-14(15(18)19)12-6-4-3-5-7-12/h3-7,13-14,17H,8-11H2,1-2H3
InChIKeyPYDFDHIJNUQURU-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one (CID 114552517) is 3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one is CC1(C)CCC(N2CNC(c3ccccc3)C2=O)C1.
What is the InChIKey of 3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one?
The InChIKey is PYDFDHIJNUQURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2)9-8-13(10-16)18-11-17-14(15(18)19)12-6-4-3-5-7-12/h3-7,13-14,17H,8-11H2,1-2H3.
What are the key properties of 3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one?
3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one has a molecular weight of 258.37 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one is sourced from PubChem (CID 114552517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).