2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine

C15H10F3N3 — CID 166001604

IUPAC2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1ccc(/C=C/c2cn3cccnc3n2)cc1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)12-5-2-11(3-6-12)4-7-13-10-21-9-1-8-19-14(21)20-13/h1-10H/b7-4+
InChIKeyJMSHIBMPWVUNPC-QPJJXVBHSA-N
MW289.26 g/mol
LogP3.92
Rot. Bonds2

About 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine

2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine (PubChem CID 166001604) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine
PubChem CID166001604
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1ccc(/C=C/c2cn3cccnc3n2)cc1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)12-5-2-11(3-6-12)4-7-13-10-21-9-1-8-19-14(21)20-13/h1-10H/b7-4+
InChIKeyJMSHIBMPWVUNPC-QPJJXVBHSA-N
XLogP3.92
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine (CID 166001604) is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine is FC(F)(F)c1ccc(/C=C/c2cn3cccnc3n2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is JMSHIBMPWVUNPC-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-15(17,18)12-5-2-11(3-6-12)4-7-13-10-21-9-1-8-19-14(21)20-13/h1-10H/b7-4+.
What are the key properties of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine?
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 289.26 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 166001604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).