5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one

C18H14F3N3O2 — CID 141223187

IUPAC5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cn(C3CC3)c(-c3ccc(OC(F)(F)F)cc3)n2)c[nH]1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)26-14-6-1-11(2-7-14)17-23-15(10-24(17)13-4-5-13)12-3-8-16(25)22-9-12/h1-3,6-10,13H,4-5H2,(H,22,25)
InChIKeyUTWRDHQLZREUIE-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.14
Rot. Bonds4

About 5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one

5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one (PubChem CID 141223187) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one
PubChem CID141223187
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cn(C3CC3)c(-c3ccc(OC(F)(F)F)cc3)n2)c[nH]1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)26-14-6-1-11(2-7-14)17-23-15(10-24(17)13-4-5-13)12-3-8-16(25)22-9-12/h1-3,6-10,13H,4-5H2,(H,22,25)
InChIKeyUTWRDHQLZREUIE-UHFFFAOYSA-N
XLogP4.14
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyridin-2-amine
CID 141223183
4-cyclopropyl-3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione
CID 116628946
6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide
CID 71886114
4-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione
CID 2744926
3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091567
6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one
CID 168825421
1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one
CID 126769157
2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710451
3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091587
1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
CID 106557392
4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide
CID 22998138
ethyl 3-cyclopropyl-5-pyrimidin-5-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxylate
CID 67133071

Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one (CID 141223187) is 5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one is O=c1ccc(-c2cn(C3CC3)c(-c3ccc(OC(F)(F)F)cc3)n2)c[nH]1.
What is the InChIKey of 5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one?
The InChIKey is UTWRDHQLZREUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)26-14-6-1-11(2-7-14)17-23-15(10-24(17)13-4-5-13)12-3-8-16(25)22-9-12/h1-3,6-10,13H,4-5H2,(H,22,25).
What are the key properties of 5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one?
5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one has a molecular weight of 361.32 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 141223187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).