4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine

C14H14F3N3 — CID 170752744

IUPAC4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine
SMILESFC(F)(F)C1(Cc2ncc(Cc3ccncc3)[nH]2)CC1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)13(3-4-13)8-12-19-9-11(20-12)7-10-1-5-18-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,19,20)
InChIKeyZVGZEODUKNQENP-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.28
Rot. Bonds4

About 4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine

4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine (PubChem CID 170752744) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine
PubChem CID170752744
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine
SMILESFC(F)(F)C1(Cc2ncc(Cc3ccncc3)[nH]2)CC1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)13(3-4-13)8-12-19-9-11(20-12)7-10-1-5-18-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,19,20)
InChIKeyZVGZEODUKNQENP-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine
CID 167449121
4-[[2-(4,4-difluoropiperidin-1-yl)-1H-imidazol-5-yl]methyl]pyridine
CID 170752757
4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine
CID 170752704
3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine
CID 167449101
(1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol
CID 71097987
6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one
CID 67285058
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
4-(1H-pyrazol-5-ylmethyl)pyridine
CID 57052578
2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine
CID 24704089
2-(pyridin-4-ylmethyl)-1,4-dihydroimidazol-5-one
CID 106951809
2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline
CID 172709221
4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine
CID 173201433

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine?
The IUPAC name of 4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine (CID 170752744) is 4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine?
The canonical SMILES for 4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine is FC(F)(F)C1(Cc2ncc(Cc3ccncc3)[nH]2)CC1.
What is the InChIKey of 4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine?
The InChIKey is ZVGZEODUKNQENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)13(3-4-13)8-12-19-9-11(20-12)7-10-1-5-18-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,19,20).
What are the key properties of 4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine?
4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine has a molecular weight of 281.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine is sourced from PubChem (CID 170752744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).