5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

C14H17F3N2O2 — CID 83264525

IUPAC5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCC1NC(c2ccccc2)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C14H17F3N2O2/c1-10-13(20)19(7-8-21-9-14(15,16)17)12(18-10)11-5-3-2-4-6-11/h2-6,10,12,18H,7-9H2,1H3
InChIKeyOLAJYGDAEDNQAV-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.08
Rot. Bonds5

About 5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (PubChem CID 83264525) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
PubChem CID83264525
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCC1NC(c2ccccc2)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C14H17F3N2O2/c1-10-13(20)19(7-8-21-9-14(15,16)17)12(18-10)11-5-3-2-4-6-11/h2-6,10,12,18H,7-9H2,1H3
InChIKeyOLAJYGDAEDNQAV-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The IUPAC name of 5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (CID 83264525) is 5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is CC1NC(c2ccccc2)N(CCOCC(F)(F)F)C1=O.
What is the InChIKey of 5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The InChIKey is OLAJYGDAEDNQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-10-13(20)19(7-8-21-9-14(15,16)17)12(18-10)11-5-3-2-4-6-11/h2-6,10,12,18H,7-9H2,1H3.
What are the key properties of 5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one has a molecular weight of 302.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83264525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).