(5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

C15H17F3N6O — CID 118790346

IUPAC(5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3ncc(C)[nH]3)CC2)n1
InChIInChI=1S/C15H17F3N6O/c1-9-7-11(15(16,17)18)22-14(21-9)24-5-3-23(4-6-24)13(25)12-19-8-10(2)20-12/h7-8H,3-6H2,1-2H3,(H,19,20)
InChIKeyIILUHLNDGWXARE-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.80
Rot. Bonds2

About (5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

(5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 118790346) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID118790346
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC Name(5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3ncc(C)[nH]3)CC2)n1
InChIInChI=1S/C15H17F3N6O/c1-9-7-11(15(16,17)18)22-14(21-9)24-5-3-23(4-6-24)13(25)12-19-8-10(2)20-12/h7-8H,3-6H2,1-2H3,(H,19,20)
InChIKeyIILUHLNDGWXARE-UHFFFAOYSA-N
XLogP1.80
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 118790346) is (5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3ncc(C)[nH]3)CC2)n1.
What is the InChIKey of (5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is IILUHLNDGWXARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-9-7-11(15(16,17)18)22-14(21-9)24-5-3-23(4-6-24)13(25)12-19-8-10(2)20-12/h7-8H,3-6H2,1-2H3,(H,19,20).
What are the key properties of (5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
(5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 354.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-imidazol-2-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 118790346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).