(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone

C16H10Br2F3N3O2 — CID 139329682

IUPAC(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone
SMILESCCc1nc2cc(C(F)(F)F)ncn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H10Br2F3N3O2/c1-2-10-13(14(25)7-3-8(17)15(26)9(18)4-7)24-6-22-11(16(19,20)21)5-12(24)23-10/h3-6,26H,2H2,1H3
InChIKeyKMGJXUGOJOCEGR-UHFFFAOYSA-N
MW493.08 g/mol
LogP4.77
Rot. Bonds3

About (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone

(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone (PubChem CID 139329682) 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-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone
PubChem CID139329682
Molecular FormulaC16H10Br2F3N3O2
Molecular Weight493.08 g/mol
Exact Mass490.91
IUPAC Name(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone
SMILESCCc1nc2cc(C(F)(F)F)ncn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H10Br2F3N3O2/c1-2-10-13(14(25)7-3-8(17)15(26)9(18)4-7)24-6-22-11(16(19,20)21)5-12(24)23-10/h3-6,26H,2H2,1H3
InChIKeyKMGJXUGOJOCEGR-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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Related Compounds

Lingdolinurad
CID 126687506
Xininurad
CID 139329673
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone
CID 455752
(3,5-Dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 126687480
(3-Bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687501
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
CID 126687541
[3-Bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687543
(3-Bromo-5-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687578
(2-Ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxyphenyl)methanone
CID 126687618
(2-Ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-(3-fluoro-4-hydroxy-5-iodophenyl)methanone
CID 126687619
(3,5-Dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 139329672
3-Bromo-5-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl]-2-hydroxybenzonitrile
CID 139329674

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone?
The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone (CID 139329682) is (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone.
What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone?
The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone is CCc1nc2cc(C(F)(F)F)ncn2c1C(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone?
The InChIKey is KMGJXUGOJOCEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2F3N3O2/c1-2-10-13(14(25)7-3-8(17)15(26)9(18)4-7)24-6-22-11(16(19,20)21)5-12(24)23-10/h3-6,26H,2H2,1H3.
What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone?
(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]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-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone is sourced from PubChem (CID 139329682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).