(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone

C16H10Br2F3N3O2 — CID 139342700

IUPAC(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone
SMILESCCc1nc2ncc(C(F)(F)F)cn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H10Br2F3N3O2/c1-2-11-12(13(25)7-3-9(17)14(26)10(18)4-7)24-6-8(16(19,20)21)5-22-15(24)23-11/h3-6,26H,2H2,1H3
InChIKeyBUEIQLYAYLVKDZ-UHFFFAOYSA-N
MW493.08 g/mol
LogP4.77
Rot. Bonds3

About (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone

(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone (PubChem CID 139342700) has the molecular formula C16H10Br2F3N3O2 and a molecular weight of 493.08 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone
PubChem CID139342700
Molecular FormulaC16H10Br2F3N3O2
Molecular Weight493.08 g/mol
Exact Mass490.91
IUPAC Name(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone
SMILESCCc1nc2ncc(C(F)(F)F)cn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H10Br2F3N3O2/c1-2-11-12(13(25)7-3-9(17)14(26)10(18)4-7)24-6-8(16(19,20)21)5-22-15(24)23-11/h3-6,26H,2H2,1H3
InChIKeyBUEIQLYAYLVKDZ-UHFFFAOYSA-N
XLogP4.77
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.08
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone?
The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone (CID 139342700) is (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone?
The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone is CCc1nc2ncc(C(F)(F)F)cn2c1C(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone?
The InChIKey is BUEIQLYAYLVKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2F3N3O2/c1-2-11-12(13(25)7-3-9(17)14(26)10(18)4-7)24-6-8(16(19,20)21)5-22-15(24)23-11/h3-6,26H,2H2,1H3.
What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone?
(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone has a molecular weight of 493.08 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 139342700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).