1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one

C18H17F3N4O3 — CID 91252167

IUPAC1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
SMILESCCNc1cc(Cn2cc(O)n(-c3ccc(OC(F)(F)F)cc3)c2=O)ccn1
InChIInChI=1S/C18H17F3N4O3/c1-2-22-15-9-12(7-8-23-15)10-24-11-16(26)25(17(24)27)13-3-5-14(6-4-13)28-18(19,20)21/h3-9,11,26H,2,10H2,1H3,(H,22,23)
InChIKeyXBFIKMQNRGUZTK-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.12
Rot. Bonds6

About 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one

1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one (PubChem CID 91252167) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
PubChem CID91252167
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC Name1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
SMILESCCNc1cc(Cn2cc(O)n(-c3ccc(OC(F)(F)F)cc3)c2=O)ccn1
InChIInChI=1S/C18H17F3N4O3/c1-2-22-15-9-12(7-8-23-15)10-24-11-16(26)25(17(24)27)13-3-5-14(6-4-13)28-18(19,20)21/h3-9,11,26H,2,10H2,1H3,(H,22,23)
InChIKeyXBFIKMQNRGUZTK-UHFFFAOYSA-N
XLogP3.12
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91613069
tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate
CID 91041066
[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate
CID 91393119
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide
CID 90879070
N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 91578507
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-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91385526
phenyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 90897394
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 90901020
4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-(sulfamoylamino)pyridine
CID 91185410
N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
CID 90958761
4-hydroxy-1-[[2-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90878282

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The IUPAC name of 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one (CID 91252167) is 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one.
What is the SMILES notation for 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The canonical SMILES for 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one is CCNc1cc(Cn2cc(O)n(-c3ccc(OC(F)(F)F)cc3)c2=O)ccn1.
What is the InChIKey of 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The InChIKey is XBFIKMQNRGUZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-2-22-15-9-12(7-8-23-15)10-24-11-16(26)25(17(24)27)13-3-5-14(6-4-13)28-18(19,20)21/h3-9,11,26H,2,10H2,1H3,(H,22,23).
What are the key properties of 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one has a molecular weight of 394.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one is sourced from PubChem (CID 91252167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).