2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

C13H8F3N3O — CID 2812032

IUPAC2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)20-10-4-2-9(3-5-10)11-8-19-7-1-6-17-12(19)18-11/h1-8H
InChIKeySZQGKYQVQCHWMB-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.29
Rot. Bonds2

About 2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 2812032) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
PubChem CID2812032
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)20-10-4-2-9(3-5-10)11-8-19-7-1-6-17-12(19)18-11/h1-8H
InChIKeySZQGKYQVQCHWMB-UHFFFAOYSA-N
XLogP3.29
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (CID 2812032) is 2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is FC(F)(F)Oc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is SZQGKYQVQCHWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)20-10-4-2-9(3-5-10)11-8-19-7-1-6-17-12(19)18-11/h1-8H.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 279.22 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 2812032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).