5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole

C14H14F3N3 — CID 114703043

IUPAC5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole
SMILESFC(F)(F)c1cccc(-n2cncc2C2CCCN2)c1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)10-3-1-4-11(7-10)20-9-18-8-13(20)12-5-2-6-19-12/h1,3-4,7-9,12,19H,2,5-6H2
InChIKeyRWHJYVPHZDJOID-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.32
Rot. Bonds2

About 5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole

5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole (PubChem CID 114703043) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole
PubChem CID114703043
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole
SMILESFC(F)(F)c1cccc(-n2cncc2C2CCCN2)c1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)10-3-1-4-11(7-10)20-9-18-8-13(20)12-5-2-6-19-12/h1,3-4,7-9,12,19H,2,5-6H2
InChIKeyRWHJYVPHZDJOID-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
1-(3-methylsulfanylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702733
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114705473
[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol
CID 104943673
1-(4-methylsulfanylphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941741
1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941461
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
CID 114707633
1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole
CID 114703835
1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702494

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole (CID 114703043) is 5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole is FC(F)(F)c1cccc(-n2cncc2C2CCCN2)c1.
What is the InChIKey of 5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole?
The InChIKey is RWHJYVPHZDJOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)10-3-1-4-11(7-10)20-9-18-8-13(20)12-5-2-6-19-12/h1,3-4,7-9,12,19H,2,5-6H2.
What are the key properties of 5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole?
5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole has a molecular weight of 281.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 114703043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).