2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine

C15H6BrF7N4 — CID 57468753

IUPAC2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine
SMILESFc1cc(-c2cc(C(F)(F)F)nc(-n3cnc(Br)c3)n2)ccc1C(F)(F)F
InChIInChI=1S/C15H6BrF7N4/c16-12-5-27(6-24-12)13-25-10(4-11(26-13)15(21,22)23)7-1-2-8(9(17)3-7)14(18,19)20/h1-6H
InChIKeyLQMAJFGXMHMORY-UHFFFAOYSA-N
MW455.13 g/mol
LogP5.27
Rot. Bonds2

About 2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine

2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine (PubChem CID 57468753) has the molecular formula C15H6BrF7N4 and a molecular weight of 455.13 g/mol. Its IUPAC name is 2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine
PubChem CID57468753
Molecular FormulaC15H6BrF7N4
Molecular Weight455.13 g/mol
Exact Mass453.97
IUPAC Name2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine
SMILESFc1cc(-c2cc(C(F)(F)F)nc(-n3cnc(Br)c3)n2)ccc1C(F)(F)F
InChIInChI=1S/C15H6BrF7N4/c16-12-5-27(6-24-12)13-25-10(4-11(26-13)15(21,22)23)7-1-2-8(9(17)3-7)14(18,19)20/h1-6H
InChIKeyLQMAJFGXMHMORY-UHFFFAOYSA-N
XLogP5.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.13
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine (CID 57468753) is 2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine is Fc1cc(-c2cc(C(F)(F)F)nc(-n3cnc(Br)c3)n2)ccc1C(F)(F)F.
What is the InChIKey of 2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is LQMAJFGXMHMORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6BrF7N4/c16-12-5-27(6-24-12)13-25-10(4-11(26-13)15(21,22)23)7-1-2-8(9(17)3-7)14(18,19)20/h1-6H.
What are the key properties of 2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine?
2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 455.13 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoimidazol-1-yl)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 57468753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).