2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine

C13H13F3N4O — CID 114721560

IUPAC2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine
SMILESFC(F)(F)c1ccc(-n2cncc2C2CNCCO2)cn1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)12-2-1-9(5-19-12)20-8-18-6-10(20)11-7-17-3-4-21-11/h1-2,5-6,8,11,17H,3-4,7H2
InChIKeyQUKGSGDMLQAYLS-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.95
Rot. Bonds2

About 2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine

2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine (PubChem CID 114721560) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine
PubChem CID114721560
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine
SMILESFC(F)(F)c1ccc(-n2cncc2C2CNCCO2)cn1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)12-2-1-9(5-19-12)20-8-18-6-10(20)11-7-17-3-4-21-11/h1-2,5-6,8,11,17H,3-4,7H2
InChIKeyQUKGSGDMLQAYLS-UHFFFAOYSA-N
XLogP1.95
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-pyridin-3-ylimidazol-4-yl)morpholine
CID 114717439
2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine
CID 114717769
2-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]morpholine
CID 114716528
2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine
CID 114716609
2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
CID 114717817
2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine
CID 114721626
2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]morpholine
CID 114721648
3-methyl-4-(5-morpholin-2-ylimidazol-1-yl)phenol
CID 114720892
2-[3-(3-methylpentan-3-yl)imidazol-4-yl]morpholine
CID 106329949
2-(3-pentan-3-ylimidazol-4-yl)morpholine
CID 114717268
3-bromo-4-(5-morpholin-2-ylimidazol-1-yl)benzonitrile
CID 107795804
2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine (CID 114721560) is 2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine is FC(F)(F)c1ccc(-n2cncc2C2CNCCO2)cn1.
What is the InChIKey of 2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine?
The InChIKey is QUKGSGDMLQAYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)12-2-1-9(5-19-12)20-8-18-6-10(20)11-7-17-3-4-21-11/h1-2,5-6,8,11,17H,3-4,7H2.
What are the key properties of 2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine?
2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine has a molecular weight of 298.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine is sourced from PubChem (CID 114721560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).