2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine

C24H23F3N2O — CID 68569678

IUPAC2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine
SMILESCC1(OCc2cccc(C(F)(F)F)c2)NC(c2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C24H23F3N2O/c1-23(30-16-17-9-8-14-20(15-17)24(25,26)27)28-21(18-10-4-2-5-11-18)22(29-23)19-12-6-3-7-13-19/h2-15,21-22,28-29H,16H2,1H3
InChIKeyXFBQPEYJPZVSLX-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.57
Rot. Bonds5

About 2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine

2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine (PubChem CID 68569678) has the molecular formula C24H23F3N2O and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine.

Molecular Properties

Compound Name2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine
PubChem CID68569678
Molecular FormulaC24H23F3N2O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine
SMILESCC1(OCc2cccc(C(F)(F)F)c2)NC(c2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C24H23F3N2O/c1-23(30-16-17-9-8-14-20(15-17)24(25,26)27)28-21(18-10-4-2-5-11-18)22(29-23)19-12-6-3-7-13-19/h2-15,21-22,28-29H,16H2,1H3
InChIKeyXFBQPEYJPZVSLX-UHFFFAOYSA-N
XLogP5.57
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine?
The IUPAC name of 2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine (CID 68569678) is 2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine.
What is the SMILES notation for 2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine?
The canonical SMILES for 2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine is CC1(OCc2cccc(C(F)(F)F)c2)NC(c2ccccc2)C(c2ccccc2)N1.
What is the InChIKey of 2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine?
The InChIKey is XFBQPEYJPZVSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O/c1-23(30-16-17-9-8-14-20(15-17)24(25,26)27)28-21(18-10-4-2-5-11-18)22(29-23)19-12-6-3-7-13-19/h2-15,21-22,28-29H,16H2,1H3.
What are the key properties of 2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine?
2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine has a molecular weight of 412.46 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-diphenyl-2-[[3-(trifluoromethyl)phenyl]methoxy]imidazolidine is sourced from PubChem (CID 68569678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).