N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide

C19H17F3N4O4 — CID 90879070

IUPACN-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Cn2c(C)c(O)n(-c3ccc(OC(F)(F)F)cc3)c2=O)ccn1
InChIInChI=1S/C19H17F3N4O4/c1-11-17(28)26(14-3-5-15(6-4-14)30-19(20,21)22)18(29)25(11)10-13-7-8-23-16(9-13)24-12(2)27/h3-9,28H,10H2,1-2H3,(H,23,24,27)
InChIKeyYRTLXEXXYPCLNO-UHFFFAOYSA-N
MW422.36 g/mol
LogP2.95
Rot. Bonds5

About N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide

N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide (PubChem CID 90879070) has the molecular formula C19H17F3N4O4 and a molecular weight of 422.36 g/mol. Its IUPAC name is N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide
PubChem CID90879070
Molecular FormulaC19H17F3N4O4
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC NameN-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Cn2c(C)c(O)n(-c3ccc(OC(F)(F)F)cc3)c2=O)ccn1
InChIInChI=1S/C19H17F3N4O4/c1-11-17(28)26(14-3-5-15(6-4-14)30-19(20,21)22)18(29)25(11)10-13-7-8-23-16(9-13)24-12(2)27/h3-9,28H,10H2,1-2H3,(H,23,24,27)
InChIKeyYRTLXEXXYPCLNO-UHFFFAOYSA-N
XLogP2.95
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

ethyl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 90935599
propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91303063
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 90901020
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91536112
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]morpholine-4-sulfonamide
CID 91607160
ethyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91613069
1-(4-chlorophenyl)-3-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]urea
CID 90924951
1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91252167
1-[(7-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91601206
4-hydroxy-5-methyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91309793
2-(dimethylsulfamoylamino)-4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine
CID 91185920
4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylic acid
CID 91019121

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide (CID 90879070) is N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Cn2c(C)c(O)n(-c3ccc(OC(F)(F)F)cc3)c2=O)ccn1.
What is the InChIKey of N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide?
The InChIKey is YRTLXEXXYPCLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O4/c1-11-17(28)26(14-3-5-15(6-4-14)30-19(20,21)22)18(29)25(11)10-13-7-8-23-16(9-13)24-12(2)27/h3-9,28H,10H2,1-2H3,(H,23,24,27).
What are the key properties of N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide?
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide has a molecular weight of 422.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 90879070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).