4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine

C14H8ClF3N4 — CID 3415095

IUPAC4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H8ClF3N4/c15-10-3-1-9(2-4-10)11-7-12(14(16,17)18)21-13(20-11)22-6-5-19-8-22/h1-8H
InChIKeyLXVWPYFCJFOEJE-UHFFFAOYSA-N
MW324.69 g/mol
LogP4.00
Rot. Bonds2

About 4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine

4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 3415095) has the molecular formula C14H8ClF3N4 and a molecular weight of 324.69 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID3415095
Molecular FormulaC14H8ClF3N4
Molecular Weight324.69 g/mol
Exact Mass324.04
IUPAC Name4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H8ClF3N4/c15-10-3-1-9(2-4-10)11-7-12(14(16,17)18)21-13(20-11)22-6-5-19-8-22/h1-8H
InChIKeyLXVWPYFCJFOEJE-UHFFFAOYSA-N
XLogP4.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.69
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine (CID 3415095) is 4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is LXVWPYFCJFOEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4/c15-10-3-1-9(2-4-10)11-7-12(14(16,17)18)21-13(20-11)22-6-5-19-8-22/h1-8H.
What are the key properties of 4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine?
4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 324.69 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 3415095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).