1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone

C9H10F3N3O2 — CID 163279465

IUPAC1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone
SMILESO=C(c1cnc[nH]1)N1CC(COC(F)(F)F)C1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)17-4-6-2-15(3-6)8(16)7-1-13-5-14-7/h1,5-6H,2-4H2,(H,13,14)
InChIKeyWTTZYAKCHUSIDF-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.02
Rot. Bonds3

About 1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone

1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone (PubChem CID 163279465) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone
PubChem CID163279465
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone
SMILESO=C(c1cnc[nH]1)N1CC(COC(F)(F)F)C1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)17-4-6-2-15(3-6)8(16)7-1-13-5-14-7/h1,5-6H,2-4H2,(H,13,14)
InChIKeyWTTZYAKCHUSIDF-UHFFFAOYSA-N
XLogP1.02
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(aminomethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 129371649
1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144377
1H-imidazol-5-yl-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144378
1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 89293635
1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568032
ethane;1H-imidazol-5-yl(piperidin-1-yl)methanone
CID 142344786
fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone
CID 167484753
1-[1-[1-(1H-imidazole-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945209
1H-imidazol-5-yl-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267691
1H-imidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946369
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone
CID 162516564

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone (CID 163279465) is 1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone is O=C(c1cnc[nH]1)N1CC(COC(F)(F)F)C1.
What is the InChIKey of 1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone?
The InChIKey is WTTZYAKCHUSIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)17-4-6-2-15(3-6)8(16)7-1-13-5-14-7/h1,5-6H,2-4H2,(H,13,14).
What are the key properties of 1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone?
1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone has a molecular weight of 249.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 163279465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).