5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one

C18H15F3N2O3 — CID 4901864

IUPAC5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
SMILESO=C1N(CCc2ccc(O)cc2)C(c2ccccc2)=NC1(O)C(F)(F)F
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)17(26)16(25)23(11-10-12-6-8-14(24)9-7-12)15(22-17)13-4-2-1-3-5-13/h1-9,24,26H,10-11H2
InChIKeySZZFFRZNSMASIK-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.47
Rot. Bonds4

About 5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one

5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one (PubChem CID 4901864) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one.

Molecular Properties

Compound Name5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
PubChem CID4901864
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
SMILESO=C1N(CCc2ccc(O)cc2)C(c2ccccc2)=NC1(O)C(F)(F)F
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)17(26)16(25)23(11-10-12-6-8-14(24)9-7-12)15(22-17)13-4-2-1-3-5-13/h1-9,24,26H,10-11H2
InChIKeySZZFFRZNSMASIK-UHFFFAOYSA-N
XLogP2.47
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Hydroxy-phenyl)-5-methyl-3-phenethyl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 135537654
2-(4-fluorophenyl)-5-hydroxy-N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136262731
(z)-4-(2-(Difluoroboryl)-4-hydroxybenzylidene)-1-methyl-2-phenyl-1h-imidazol-5(4h)-one
CID 134159566
1-[2-(4-Hydroxyphenyl)-4,5-dihydroimidazol-1-yl]ethanone
CID 139215385
(z)-3-Benzyl-5-(4-hydroxybenzylidene)-2-phenyl-3,5-dihydro-4h-imidazol-4-one
CID 163183676
5-hydroxy-3-(2-methoxybenzyl)-2-phenyl-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
CID 4901627
3-[2-(3,4-Dihydroxyphenyl)ethyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 4903461
N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide
CID 4905877
5-hydroxy-3-[2-(2-methoxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
CID 4905891
ethyl N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
CID 4908927
5-hydroxy-3-(4-methoxybenzyl)-2-phenyl-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
CID 4911543
(5R)-5-hydroxy-3-[(2-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 7581587

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The IUPAC name of 5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one (CID 4901864) is 5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one.
What is the SMILES notation for 5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The canonical SMILES for 5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one is O=C1N(CCc2ccc(O)cc2)C(c2ccccc2)=NC1(O)C(F)(F)F.
What is the InChIKey of 5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The InChIKey is SZZFFRZNSMASIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c19-18(20,21)17(26)16(25)23(11-10-12-6-8-14(24)9-7-12)15(22-17)13-4-2-1-3-5-13/h1-9,24,26H,10-11H2.
What are the key properties of 5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one has a molecular weight of 364.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one is sourced from PubChem (CID 4901864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).