2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine

C14H15F3N4 — CID 100689453

IUPAC2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCC[C@H]2Cn2ccnc2)nc1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-3-4-13(19-8-11)21-6-1-2-12(21)9-20-7-5-18-10-20/h3-5,7-8,10,12H,1-2,6,9H2/t12-/m0/s1
InChIKeyHPGHGSHYBQYVAH-LBPRGKRZSA-N
MW296.30 g/mol
LogP2.97
Rot. Bonds3

About 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine

2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 100689453) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID100689453
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCC[C@H]2Cn2ccnc2)nc1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-3-4-13(19-8-11)21-6-1-2-12(21)9-20-7-5-18-10-20/h3-5,7-8,10,12H,1-2,6,9H2/t12-/m0/s1
InChIKeyHPGHGSHYBQYVAH-LBPRGKRZSA-N
XLogP2.97
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methyl]imidazole
CID 133336647
2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide
CID 100689790
[(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 164642673
7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline
CID 166284165
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
CID 66329106
N-ethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanamine
CID 63854935
1-[[1-(4-bromo-2-nitrophenyl)pyrrolidin-2-yl]methyl]imidazole
CID 133336652
[1-(5-tert-butyl-2-pyridinyl)piperidin-2-yl]methanol
CID 107875282
1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole
CID 44590981
(3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol
CID 129352763
N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60632035
[1-(5-tert-butyl-2-pyridinyl)azepan-2-yl]methanamine
CID 107875713

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine (CID 100689453) is 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(N2CCC[C@H]2Cn2ccnc2)nc1.
What is the InChIKey of 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is HPGHGSHYBQYVAH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)11-3-4-13(19-8-11)21-6-1-2-12(21)9-20-7-5-18-10-20/h3-5,7-8,10,12H,1-2,6,9H2/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 296.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 100689453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).