[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone

C17H11F6N3O2 — CID 139329691

IUPAC[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
SMILESCCc1nc2ncc(C(F)(F)F)cn2c1C(=O)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C17H11F6N3O2/c1-2-11-13(26-7-9(16(18,19)20)6-24-15(26)25-11)14(28)8-3-4-12(27)10(5-8)17(21,22)23/h3-7,27H,2H2,1H3
InChIKeyNOHRFQCUAGAPRF-UHFFFAOYSA-N
MW403.28 g/mol
LogP4.27
Rot. Bonds3

About [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone

[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone (PubChem CID 139329691) has the molecular formula C17H11F6N3O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
PubChem CID139329691
Molecular FormulaC17H11F6N3O2
Molecular Weight403.28 g/mol
Exact Mass403.08
IUPAC Name[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
SMILESCCc1nc2ncc(C(F)(F)F)cn2c1C(=O)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C17H11F6N3O2/c1-2-11-13(26-7-9(16(18,19)20)6-24-15(26)25-11)14(28)8-3-4-12(27)10(5-8)17(21,22)23/h3-7,27H,2H2,1H3
InChIKeyNOHRFQCUAGAPRF-UHFFFAOYSA-N
XLogP4.27
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone (CID 139329691) is [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone is CCc1nc2ncc(C(F)(F)F)cn2c1C(=O)c1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is NOHRFQCUAGAPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N3O2/c1-2-11-13(26-7-9(16(18,19)20)6-24-15(26)25-11)14(28)8-3-4-12(27)10(5-8)17(21,22)23/h3-7,27H,2H2,1H3.
What are the key properties of [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone?
[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 403.28 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 139329691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).