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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Related Compounds

3-benzyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 45382277
5-[(4-fluorophenyl)methoxy]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-4-one
CID 74794143
(2S)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
CID 118161520
(2S,3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
CID 118161519
dibenzyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 10503338
6-methoxy-3-[3-(trifluoromethyl)phenyl]-1,3-diazepane-2,4-dione
CID 103160225
8-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,6,7,8a-tetrahydroimidazo[2,1-c][1,2,4]triazine-3,4-dione
CID 73339178
6-methyl-3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 3073149
3-(4-phenylmethoxypiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 164559446
3-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 115007188
1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 112708064
(2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine
CID 177205527

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).