4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine

C12H12F3N3 — CID 167449121

IUPAC4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine
SMILESFC(F)(F)CCc1ncc(Cc2ccncc2)[nH]1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)4-1-11-17-8-10(18-11)7-9-2-5-16-6-3-9/h2-3,5-6,8H,1,4,7H2,(H,17,18)
InChIKeyMLGHCLGMYXCEHR-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.89
Rot. Bonds4

About 4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine

4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine (PubChem CID 167449121) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine
PubChem CID167449121
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine
SMILESFC(F)(F)CCc1ncc(Cc2ccncc2)[nH]1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)4-1-11-17-8-10(18-11)7-9-2-5-16-6-3-9/h2-3,5-6,8H,1,4,7H2,(H,17,18)
InChIKeyMLGHCLGMYXCEHR-UHFFFAOYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine
CID 170752744
N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine
CID 79964687
3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine
CID 167449101
4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine
CID 170752704
4-[[2-(4,4-difluoropiperidin-1-yl)-1H-imidazol-5-yl]methyl]pyridine
CID 170752757
2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine
CID 24704089
6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one
CID 67285058
2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline
CID 172709221
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
4-(1H-pyrazol-5-ylmethyl)pyridine
CID 57052578
5-(3,3,3-trifluoropropyl)-1H-pyrazole
CID 122483416
[2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride
CID 70983747

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine?
The IUPAC name of 4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine (CID 167449121) is 4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine?
The canonical SMILES for 4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine is FC(F)(F)CCc1ncc(Cc2ccncc2)[nH]1.
What is the InChIKey of 4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine?
The InChIKey is MLGHCLGMYXCEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c13-12(14,15)4-1-11-17-8-10(18-11)7-9-2-5-16-6-3-9/h2-3,5-6,8H,1,4,7H2,(H,17,18).
What are the key properties of 4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine?
4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine has a molecular weight of 255.24 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine is sourced from PubChem (CID 167449121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).