3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one

C14H17F3N2O — CID 83260220

IUPAC3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCCC1NC(c2ccccc2C(F)(F)F)N(C)C1=O
InChIInChI=1S/C14H17F3N2O/c1-3-6-11-13(20)19(2)12(18-11)9-7-4-5-8-10(9)14(15,16)17/h4-5,7-8,11-12,18H,3,6H2,1-2H3
InChIKeySSRTVFYJVTZTMQ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.93
Rot. Bonds3

About 3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one

3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 83260220) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID83260220
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCCC1NC(c2ccccc2C(F)(F)F)N(C)C1=O
InChIInChI=1S/C14H17F3N2O/c1-3-6-11-13(20)19(2)12(18-11)9-7-4-5-8-10(9)14(15,16)17/h4-5,7-8,11-12,18H,3,6H2,1-2H3
InChIKeySSRTVFYJVTZTMQ-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83259707
3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one
CID 83267718
5-ethyl-3-methyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83259790
3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one
CID 83247055
3-cyclopropyl-2-(2-methylphenyl)-5-propylimidazolidin-4-one
CID 83243070
2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one
CID 83246229
3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83260672
2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one
CID 83237041
2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one
CID 83246193
3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83237657
2-(2-fluorophenyl)-3-(oxolan-3-yl)-5-propylimidazolidin-4-one
CID 83267208
2-ethyl-3-methyl-5-propylimidazolidin-4-one
CID 83261092

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 83260220) is 3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one is CCCC1NC(c2ccccc2C(F)(F)F)N(C)C1=O.
What is the InChIKey of 3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is SSRTVFYJVTZTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-3-6-11-13(20)19(2)12(18-11)9-7-4-5-8-10(9)14(15,16)17/h4-5,7-8,11-12,18H,3,6H2,1-2H3.
What are the key properties of 3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one?
3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 286.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 83260220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).