3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one

C15H19F3N2O — CID 83247057

IUPAC3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCC(C)(C)CN1C(=O)CNC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c1-14(2,3)9-20-12(21)8-19-13(20)10-5-4-6-11(7-10)15(16,17)18/h4-7,13,19H,8-9H2,1-3H3
InChIKeySAGLHMPVNRXTSP-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.18
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one

3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 83247057) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID83247057
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCC(C)(C)CN1C(=O)CNC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c1-14(2,3)9-20-12(21)8-19-13(20)10-5-4-6-11(7-10)15(16,17)18/h4-7,13,19H,8-9H2,1-3H3
InChIKeySAGLHMPVNRXTSP-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 83247057) is 3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is CC(C)(C)CN1C(=O)CNC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is SAGLHMPVNRXTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-14(2,3)9-20-12(21)8-19-13(20)10-5-4-6-11(7-10)15(16,17)18/h4-7,13,19H,8-9H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 300.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 83247057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).