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

C14H17F3N2O2 — CID 83267718

IUPAC3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one
SMILESCCCC1NC(c2ccc(OC(F)(F)F)cc2)N(C)C1=O
InChIInChI=1S/C14H17F3N2O2/c1-3-4-11-13(20)19(2)12(18-11)9-5-7-10(8-6-9)21-14(15,16)17/h5-8,11-12,18H,3-4H2,1-2H3
InChIKeyJDTADTVSFJQQEN-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.81
Rot. Bonds4

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

3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one (PubChem CID 83267718) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one
PubChem CID83267718
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one
SMILESCCCC1NC(c2ccc(OC(F)(F)F)cc2)N(C)C1=O
InChIInChI=1S/C14H17F3N2O2/c1-3-4-11-13(20)19(2)12(18-11)9-5-7-10(8-6-9)21-14(15,16)17/h5-8,11-12,18H,3-4H2,1-2H3
InChIKeyJDTADTVSFJQQEN-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83260672
3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83260220
2-[4-(difluoromethoxy)phenyl]-3-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 115282278
3-ethyl-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83239444
3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83233071
2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244948
3-cyclopropyl-2-(4-ethylphenyl)-5-propylimidazolidin-4-one
CID 83242888
5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
CID 83259614
3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one
CID 83247730
2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83257869
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83239253

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one?
The IUPAC name of 3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one (CID 83267718) is 3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one is CCCC1NC(c2ccc(OC(F)(F)F)cc2)N(C)C1=O.
What is the InChIKey of 3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one?
The InChIKey is JDTADTVSFJQQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-3-4-11-13(20)19(2)12(18-11)9-5-7-10(8-6-9)21-14(15,16)17/h5-8,11-12,18H,3-4H2,1-2H3.
What are the key properties of 3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one?
3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one has a molecular weight of 302.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one is sourced from PubChem (CID 83267718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).