5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole

C13H12F3N3 — CID 114720008

IUPAC5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
SMILESFc1cc(F)c(-n2cncc2C2CCNC2)cc1F
InChIInChI=1S/C13H12F3N3/c14-9-3-11(16)12(4-10(9)15)19-7-18-6-13(19)8-1-2-17-5-8/h3-4,6-8,17H,1-2,5H2
InChIKeyLDAWQWOBVIOSLY-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.37
Rot. Bonds2

About 5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole

5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole (PubChem CID 114720008) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
PubChem CID114720008
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
SMILESFc1cc(F)c(-n2cncc2C2CCNC2)cc1F
InChIInChI=1S/C13H12F3N3/c14-9-3-11(16)12(4-10(9)15)19-7-18-6-13(19)8-1-2-17-5-8/h3-4,6-8,17H,1-2,5H2
InChIKeyLDAWQWOBVIOSLY-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole
CID 103587997
3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
CID 114223410
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716753
4-[3-(2-fluorophenyl)imidazol-4-yl]piperidine
CID 114703452
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716120
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole
CID 114720207

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole?
The IUPAC name of 5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole (CID 114720008) is 5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole.
What is the SMILES notation for 5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole?
The canonical SMILES for 5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole is Fc1cc(F)c(-n2cncc2C2CCNC2)cc1F.
What is the InChIKey of 5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole?
The InChIKey is LDAWQWOBVIOSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-9-3-11(16)12(4-10(9)15)19-7-18-6-13(19)8-1-2-17-5-8/h3-4,6-8,17H,1-2,5H2.
What are the key properties of 5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole?
5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole has a molecular weight of 267.25 g/mol, XLogP of 2.37, 2 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-(2,4,5-trifluorophenyl)imidazole is sourced from PubChem (CID 114720008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).