2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine

C16H10F6N4 — CID 141185347

IUPAC2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2cc(C(F)(F)F)nc(-n3ccnc3)n2)ccc1C(F)(F)F
InChIInChI=1S/C16H10F6N4/c1-9-6-10(2-3-11(9)15(17,18)19)12-7-13(16(20,21)22)25-14(24-12)26-5-4-23-8-26/h2-8H,1H3
InChIKeyLAHBQYDZQGWLHK-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.68
Rot. Bonds2

About 2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine

2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine (PubChem CID 141185347) has the molecular formula C16H10F6N4 and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine
PubChem CID141185347
Molecular FormulaC16H10F6N4
Molecular Weight372.27 g/mol
Exact Mass372.08
IUPAC Name2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2cc(C(F)(F)F)nc(-n3ccnc3)n2)ccc1C(F)(F)F
InChIInChI=1S/C16H10F6N4/c1-9-6-10(2-3-11(9)15(17,18)19)12-7-13(16(20,21)22)25-14(24-12)26-5-4-23-8-26/h2-8H,1H3
InChIKeyLAHBQYDZQGWLHK-UHFFFAOYSA-N
XLogP4.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine (CID 141185347) is 2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine is Cc1cc(-c2cc(C(F)(F)F)nc(-n3ccnc3)n2)ccc1C(F)(F)F.
What is the InChIKey of 2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is LAHBQYDZQGWLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N4/c1-9-6-10(2-3-11(9)15(17,18)19)12-7-13(16(20,21)22)25-14(24-12)26-5-4-23-8-26/h2-8H,1H3.
What are the key properties of 2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine?
2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 372.27 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-4-[3-methyl-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 141185347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).