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

C15H10Br2FN3O2 — CID 139329672

IUPAC(3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESCCc1c(C(=O)c2cc(Br)c(O)c(Br)c2)nc2ncc(F)cn12
InChIInChI=1S/C15H10Br2FN3O2/c1-2-11-12(20-15-19-5-8(18)6-21(11)15)13(22)7-3-9(16)14(23)10(17)4-7/h3-6,23H,2H2,1H3
InChIKeyGUPSLHBLWJMSRY-UHFFFAOYSA-N
MW443.07 g/mol
LogP3.89
Rot. Bonds3

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

(3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone (PubChem CID 139329672) has the molecular formula C15H10Br2FN3O2 and a molecular weight of 443.07 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone
PubChem CID139329672
Molecular FormulaC15H10Br2FN3O2
Molecular Weight443.07 g/mol
Exact Mass440.91
IUPAC Name(3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESCCc1c(C(=O)c2cc(Br)c(O)c(Br)c2)nc2ncc(F)cn12
InChIInChI=1S/C15H10Br2FN3O2/c1-2-11-12(20-15-19-5-8(18)6-21(11)15)13(22)7-3-9(16)14(23)10(17)4-7/h3-6,23H,2H2,1H3
InChIKeyGUPSLHBLWJMSRY-UHFFFAOYSA-N
XLogP3.89
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.07
LogP ≤ 53.89
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
[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-Bromo-5-[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl]-2-hydroxybenzonitrile
CID 139329674
[3-Bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)methanone
CID 139329677
(3,5-Dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-3-yl]methanone
CID 139329682

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone (CID 139329672) is (3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone is CCc1c(C(=O)c2cc(Br)c(O)c(Br)c2)nc2ncc(F)cn12.
What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The InChIKey is GUPSLHBLWJMSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2FN3O2/c1-2-11-12(20-15-19-5-8(18)6-21(11)15)13(22)7-3-9(16)14(23)10(17)4-7/h3-6,23H,2H2,1H3.
What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone?
(3,5-dibromo-4-hydroxyphenyl)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone has a molecular weight of 443.07 g/mol, XLogP of 3.89, 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)-(3-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 139329672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).