N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide

C20H18F3N3O3 — CID 4905877

IUPACN-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccc(O)cc2)C1=O
InChIInChI=1S/C20H18F3N3O3/c1-13(27)24-19(20(21,22)23)18(29)26(12-11-14-7-9-16(28)10-8-14)17(25-19)15-5-3-2-4-6-15/h2-10,28H,11-12H2,1H3,(H,24,27)
InChIKeyJPXJGMQFMLWZJD-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.62
Rot. Bonds5

About N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide

N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide (PubChem CID 4905877) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide
PubChem CID4905877
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC NameN-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccc(O)cc2)C1=O
InChIInChI=1S/C20H18F3N3O3/c1-13(27)24-19(20(21,22)23)18(29)26(12-11-14-7-9-16(28)10-8-14)17(25-19)15-5-3-2-4-6-15/h2-10,28H,11-12H2,1H3,(H,24,27)
InChIKeyJPXJGMQFMLWZJD-UHFFFAOYSA-N
XLogP2.62
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3E,5Z)-4-[[6-(4-hydroxyphenyl)-2-(4,4,4-trifluorobutyl)-4H-pyrimidin-3-yl]methyl]-N-(2-methylhexan-2-yl)octa-3,5,7-trienamide
CID 130182882
2-[5-amino-2-(4-hydroxyphenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 135625378
2-(3-Fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-(propylamino)-4(3H)-pyrimidinone
CID 135712811
2-[5-amino-2-(4-hydroxyphenyl)-6-oxopyrimidin-1-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide
CID 136381967
(2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
CID 177158129
ethyl N-[1-[2-(3,4-dihydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
CID 4901739
5-Hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 4901864
N-[1-[(2-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide
CID 4904351
ethyl N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
CID 4908927
N-(1-(4-methoxybenzyl)-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl)acetamide
CID 4909474
N-{1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl}acetamide
CID 4974730
N-[1-[2-(3,4-dihydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide
CID 4975370

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide?
The IUPAC name of N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide (CID 4905877) is N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide is CC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccc(O)cc2)C1=O.
What is the InChIKey of N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide?
The InChIKey is JPXJGMQFMLWZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-13(27)24-19(20(21,22)23)18(29)26(12-11-14-7-9-16(28)10-8-14)17(25-19)15-5-3-2-4-6-15/h2-10,28H,11-12H2,1H3,(H,24,27).
What are the key properties of N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide?
N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide has a molecular weight of 405.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide is sourced from PubChem (CID 4905877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).