[4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate

C26H23F3N2O2 — CID 68565933

IUPAC[4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate
SMILESO=C(OC1(C2(c3ccccc3)CC2)NC(c2ccccc2)C(c2ccccc2)N1)C(F)(F)F
InChIInChI=1S/C26H23F3N2O2/c27-25(28,29)23(32)33-26(24(16-17-24)20-14-8-3-9-15-20)30-21(18-10-4-1-5-11-18)22(31-26)19-12-6-2-7-13-19/h1-15,21-22,30-31H,16-17H2
InChIKeyOIEVYKFAEYILBO-UHFFFAOYSA-N
MW452.48 g/mol
LogP5.15
Rot. Bonds5

About [4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate

[4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 68565933) has the molecular formula C26H23F3N2O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is [4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate
PubChem CID68565933
Molecular FormulaC26H23F3N2O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC Name[4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate
SMILESO=C(OC1(C2(c3ccccc3)CC2)NC(c2ccccc2)C(c2ccccc2)N1)C(F)(F)F
InChIInChI=1S/C26H23F3N2O2/c27-25(28,29)23(32)33-26(24(16-17-24)20-14-8-3-9-15-20)30-21(18-10-4-1-5-11-18)22(31-26)19-12-6-2-7-13-19/h1-15,21-22,30-31H,16-17H2
InChIKeyOIEVYKFAEYILBO-UHFFFAOYSA-N
XLogP5.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate (CID 68565933) is [4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate is O=C(OC1(C2(c3ccccc3)CC2)NC(c2ccccc2)C(c2ccccc2)N1)C(F)(F)F.
What is the InChIKey of [4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is OIEVYKFAEYILBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O2/c27-25(28,29)23(32)33-26(24(16-17-24)20-14-8-3-9-15-20)30-21(18-10-4-1-5-11-18)22(31-26)19-12-6-2-7-13-19/h1-15,21-22,30-31H,16-17H2.
What are the key properties of [4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate?
[4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 452.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-diphenyl-2-(1-phenylcyclopropyl)imidazolidin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 68565933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).