5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine

C16H10F6N4O — CID 21267744

IUPAC5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1cnc(-n2cnc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F6N4O/c1-9-6-23-14(26-7-12(24-8-26)16(20,21)22)25-13(9)27-11-4-2-3-10(5-11)15(17,18)19/h2-8H,1H3
InChIKeyYAACGQSXORSMFD-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.80
Rot. Bonds3

About 5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine

5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 21267744) has the molecular formula C16H10F6N4O and a molecular weight of 388.27 g/mol. Its IUPAC name is 5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID21267744
Molecular FormulaC16H10F6N4O
Molecular Weight388.27 g/mol
Exact Mass388.08
IUPAC Name5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1cnc(-n2cnc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F6N4O/c1-9-6-23-14(26-7-12(24-8-26)16(20,21)22)25-13(9)27-11-4-2-3-10(5-11)15(17,18)19/h2-8H,1H3
InChIKeyYAACGQSXORSMFD-UHFFFAOYSA-N
XLogP4.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 21267744) is 5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine is Cc1cnc(-n2cnc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is YAACGQSXORSMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N4O/c1-9-6-23-14(26-7-12(24-8-26)16(20,21)22)25-13(9)27-11-4-2-3-10(5-11)15(17,18)19/h2-8H,1H3.
What are the key properties of 5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine?
5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 388.27 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(trifluoromethyl)imidazol-1-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 21267744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).