6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine

C13H7BrF3N3 — CID 115404629

IUPAC6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cccc(-c2cn3cc(Br)cnc3n2)c1
InChIInChI=1S/C13H7BrF3N3/c14-10-5-18-12-19-11(7-20(12)6-10)8-2-1-3-9(4-8)13(15,16)17/h1-7H
InChIKeyMQIOVEICIYJRNP-UHFFFAOYSA-N
MW342.12 g/mol
LogP4.18
Rot. Bonds1

About 6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine

6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 115404629) has the molecular formula C13H7BrF3N3 and a molecular weight of 342.12 g/mol. Its IUPAC name is 6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
PubChem CID115404629
Molecular FormulaC13H7BrF3N3
Molecular Weight342.12 g/mol
Exact Mass340.98
IUPAC Name6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cccc(-c2cn3cc(Br)cnc3n2)c1
InChIInChI=1S/C13H7BrF3N3/c14-10-5-18-12-19-11(7-20(12)6-10)8-2-1-3-9(4-8)13(15,16)17/h1-7H
InChIKeyMQIOVEICIYJRNP-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

6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b][1,2,4]triazine
CID 67909742
6-bromo-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine
CID 115404646
6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine
CID 115404681
[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanamine
CID 81455778
2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
CID 14913301
8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-amine
CID 115910845
8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 139382515
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 121024186
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122285176
ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 143902946
methyl 4-(6-bromoimidazo[1,2-a]pyrimidin-2-yl)benzoate
CID 45158634
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine (CID 115404629) is 6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine is FC(F)(F)c1cccc(-c2cn3cc(Br)cnc3n2)c1.
What is the InChIKey of 6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is MQIOVEICIYJRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3/c14-10-5-18-12-19-11(7-20(12)6-10)8-2-1-3-9(4-8)13(15,16)17/h1-7H.
What are the key properties of 6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine?
6-bromo-2-[3-(trifluoromethyl)phenyl]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 6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 115404629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).