5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C17H15F3N2O2 — CID 67564066

IUPAC5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NCC(OCc2ccccc2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)13-7-4-8-14(9-13)22-15(10-21-16(22)23)24-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,21,23)
InChIKeyLBVIKDGYUXFHEO-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.78
Rot. Bonds4

About 5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 67564066) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID67564066
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NCC(OCc2ccccc2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)13-7-4-8-14(9-13)22-15(10-21-16(22)23)24-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,21,23)
InChIKeyLBVIKDGYUXFHEO-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 67564066) is 5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1NCC(OCc2ccccc2)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is LBVIKDGYUXFHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-17(19,20)13-7-4-8-14(9-13)22-15(10-21-16(22)23)24-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,21,23).
What are the key properties of 5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 336.31 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 67564066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).