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

C15H10ClF3N4 — CID 4084266

IUPAC4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCc1nccn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H10ClF3N4/c1-9-20-6-7-23(9)14-21-12(8-13(22-14)15(17,18)19)10-2-4-11(16)5-3-10/h2-8H,1H3
InChIKeyLKZCCVKSYGBZAG-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.31
Rot. Bonds2

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

4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 4084266) has the molecular formula C15H10ClF3N4 and a molecular weight of 338.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID4084266
Molecular FormulaC15H10ClF3N4
Molecular Weight338.72 g/mol
Exact Mass338.05
IUPAC Name4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCc1nccn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H10ClF3N4/c1-9-20-6-7-23(9)14-21-12(8-13(22-14)15(17,18)19)10-2-4-11(16)5-3-10/h2-8H,1H3
InChIKeyLKZCCVKSYGBZAG-UHFFFAOYSA-N
XLogP4.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 54.31
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-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine (CID 4084266) is 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine is Cc1nccn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is LKZCCVKSYGBZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4/c1-9-20-6-7-23(9)14-21-12(8-13(22-14)15(17,18)19)10-2-4-11(16)5-3-10/h2-8H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine?
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 338.72 g/mol, XLogP of 4.31, 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-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 4084266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).