2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine

C16H20F3N5 — CID 152569191

IUPAC2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine
SMILESFC(F)(F)CN1CCCC(CCc2ncc(-c3ncccn3)[nH]2)C1
InChIInChI=1S/C16H20F3N5/c17-16(18,19)11-24-8-1-3-12(10-24)4-5-14-22-9-13(23-14)15-20-6-2-7-21-15/h2,6-7,9,12H,1,3-5,8,10-11H2,(H,22,23)
InChIKeyYRCUODCDHWWCTR-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.07
Rot. Bonds5

About 2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine

2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine (PubChem CID 152569191) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine
PubChem CID152569191
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC Name2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine
SMILESFC(F)(F)CN1CCCC(CCc2ncc(-c3ncccn3)[nH]2)C1
InChIInChI=1S/C16H20F3N5/c17-16(18,19)11-24-8-1-3-12(10-24)4-5-14-22-9-13(23-14)15-20-6-2-7-21-15/h2,6-7,9,12H,1,3-5,8,10-11H2,(H,22,23)
InChIKeyYRCUODCDHWWCTR-UHFFFAOYSA-N
XLogP3.07
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine
CID 63388757
(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 95542964
3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine
CID 95558692
3-[(3-bromophenoxy)methyl]-1-(2,2,2-trifluoroethyl)piperidine
CID 165429268
2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 95558447
1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]urea
CID 59363411
(1-pyrimidin-2-ylpiperidin-3-yl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850146
2-[2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethyl]pyridine
CID 95707838
2-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]pyridine
CID 56906648
1-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855968
3-[[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 56869553
2-propan-2-yl-5-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine
CID 95476526

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine?
The IUPAC name of 2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine (CID 152569191) is 2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine.
What is the SMILES notation for 2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine?
The canonical SMILES for 2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine is FC(F)(F)CN1CCCC(CCc2ncc(-c3ncccn3)[nH]2)C1.
What is the InChIKey of 2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine?
The InChIKey is YRCUODCDHWWCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c17-16(18,19)11-24-8-1-3-12(10-24)4-5-14-22-9-13(23-14)15-20-6-2-7-21-15/h2,6-7,9,12H,1,3-5,8,10-11H2,(H,22,23).
What are the key properties of 2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine?
2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine has a molecular weight of 339.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine is sourced from PubChem (CID 152569191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).