5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole

C15H16F3N3 — CID 114716457

IUPAC5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
SMILESFC(F)(F)c1cccc(Cn2cncc2C2CCNC2)c1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)13-3-1-2-11(6-13)9-21-10-20-8-14(21)12-4-5-19-7-12/h1-3,6,8,10,12,19H,4-5,7,9H2
InChIKeyYFZWJONJKBROFM-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.03
Rot. Bonds3

About 5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole

5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole (PubChem CID 114716457) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
PubChem CID114716457
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
SMILESFC(F)(F)c1cccc(Cn2cncc2C2CCNC2)c1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)13-3-1-2-11(6-13)9-21-10-20-8-14(21)12-4-5-19-7-12/h1-3,6,8,10,12,19H,4-5,7,9H2
InChIKeyYFZWJONJKBROFM-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine
CID 114704736
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole
CID 114720616
4-[(5-piperidin-4-ylimidazol-1-yl)methyl]pyridine
CID 114703940
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine
CID 114706757
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 104941659
3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 116996854
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine
CID 102969413
1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole
CID 106194342
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole?
The IUPAC name of 5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole (CID 114716457) is 5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole.
What is the SMILES notation for 5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole?
The canonical SMILES for 5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole is FC(F)(F)c1cccc(Cn2cncc2C2CCNC2)c1.
What is the InChIKey of 5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole?
The InChIKey is YFZWJONJKBROFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)13-3-1-2-11(6-13)9-21-10-20-8-14(21)12-4-5-19-7-12/h1-3,6,8,10,12,19H,4-5,7,9H2.
What are the key properties of 5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole?
5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole has a molecular weight of 295.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole is sourced from PubChem (CID 114716457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).