3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C13H7BrF3N3 — CID 141396529

IUPAC3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1ccn2c(-c3ccc(Br)cc3)cnc2n1
InChIInChI=1S/C13H7BrF3N3/c14-9-3-1-8(2-4-9)10-7-18-12-19-11(13(15,16)17)5-6-20(10)12/h1-7H
InChIKeyWBQAHPCJTOYCIU-UHFFFAOYSA-N
MW342.12 g/mol
LogP4.18
Rot. Bonds1

About 3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 141396529) has the molecular formula C13H7BrF3N3 and a molecular weight of 342.12 g/mol. Its IUPAC name is 3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID141396529
Molecular FormulaC13H7BrF3N3
Molecular Weight342.12 g/mol
Exact Mass340.98
IUPAC Name3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1ccn2c(-c3ccc(Br)cc3)cnc2n1
InChIInChI=1S/C13H7BrF3N3/c14-9-3-1-8(2-4-9)10-7-18-12-19-11(13(15,16)17)5-6-20(10)12/h1-7H
InChIKeyWBQAHPCJTOYCIU-UHFFFAOYSA-N
XLogP4.18
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10271229
3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10199517
3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10133066
5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one
CID 10177390
3-[4-fluoro-3-(2-methylsulfonylphenyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10160106
3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10134100
7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine
CID 10269530
2-[2,6-difluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10294391
4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile
CID 10134544
7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
CID 22240107
3-bromo-7-(1,1-dimethoxyethyl)imidazo[1,2-a]pyrimidine
CID 18001292
2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
CID 11851221

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 141396529) is 3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is FC(F)(F)c1ccn2c(-c3ccc(Br)cc3)cnc2n1.
What is the InChIKey of 3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is WBQAHPCJTOYCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3/c14-9-3-1-8(2-4-9)10-7-18-12-19-11(13(15,16)17)5-6-20(10)12/h1-7H.
What are the key properties of 3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 342.12 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 141396529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).