(5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one

C18H15F3N2O3 — CID 7581587

IUPAC(5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
SMILESCOc1ccccc1CN1C(=O)[C@@](O)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C18H15F3N2O3/c1-26-14-10-6-5-9-13(14)11-23-15(12-7-3-2-4-8-12)22-17(25,16(23)24)18(19,20)21/h2-10,25H,11H2,1H3/t17-/m1/s1
InChIKeyCSAWEZXAQFISDP-QGZVFWFLSA-N
MW364.32 g/mol
LogP2.74
Rot. Bonds4

About (5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one

(5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one (PubChem CID 7581587) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is (5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one.

Molecular Properties

Compound Name(5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
PubChem CID7581587
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name(5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
SMILESCOc1ccccc1CN1C(=O)[C@@](O)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C18H15F3N2O3/c1-26-14-10-6-5-9-13(14)11-23-15(12-7-3-2-4-8-12)22-17(25,16(23)24)18(19,20)21/h2-10,25H,11H2,1H3/t17-/m1/s1
InChIKeyCSAWEZXAQFISDP-QGZVFWFLSA-N
XLogP2.74
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(phenoxyacetyl)-2-phenyl-4,5-dihydro-1H-imidazole
CID 801655
3-(2-Fluorophenyl)-4-[(2-methoxyphenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one
CID 49786382
N-[(1R)-1-(4-fluorophenyl)ethyl]-5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide
CID 156018691
3-[2-(3-fluoro-phenyl)-ethyl]-5-isopropyl-2-(2-methoxy-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 11245973
2-(3-Fluoro-2-methoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-one
CID 11718240
5-Ethyl-1-[2-(3-fluorophenyl)ethyl]-2-[2-(methyloxy)phenyl]-6-oxo-1,6-dihydro-4-pyrimidinecarboxylic acid
CID 16749830
N-(4-fluorobenzyl)-5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54711755
2-(3-Fluoro-2-methoxyphenyl)-6-methyl-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrimidin-4-one
CID 57705233
2-[(2S)-1-acetylpyrrolidin-2-yl]-N-[(4-fluoro-2-methoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 58786853
N'-[2-[4-[(4-fluoro-2-methoxyphenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-N,N,N'-trimethyloxamide
CID 59519359
N-[(4-fluoro-2-methoxyphenyl)methyl]-5-hydroxy-2-[(2S)-1-(methoxymethyl)pyrrolidin-2-yl]-1-methyl-6-oxopyrimidine-4-carboxamide
CID 70842264
5-Ethyl-3-[2-(3-fluorophenyl)ethyl]-6-hydroxy-2-(2-methoxyphenyl)pyrimidin-4-one
CID 136054418

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The IUPAC name of (5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one (CID 7581587) is (5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one.
What is the SMILES notation for (5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The canonical SMILES for (5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one is COc1ccccc1CN1C(=O)[C@@](O)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of (5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The InChIKey is CSAWEZXAQFISDP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-26-14-10-6-5-9-13(14)11-23-15(12-7-3-2-4-8-12)22-17(25,16(23)24)18(19,20)21/h2-10,25H,11H2,1H3/t17-/m1/s1.
What are the key properties of (5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
(5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one has a molecular weight of 364.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one is sourced from PubChem (CID 7581587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).