2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

C15H18F3N5O — CID 167910555

IUPAC2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1[nH]cnc1CC(=O)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C15H18F3N5O/c1-9-11(21-8-20-9)5-13(24)23-4-2-3-10(7-23)14-19-6-12(22-14)15(16,17)18/h6,8,10H,2-5,7H2,1H3,(H,19,22)(H,20,21)
InChIKeyNOSRPSOLDSWMQL-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.41
Rot. Bonds3

About 2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 167910555) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID167910555
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1[nH]cnc1CC(=O)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C15H18F3N5O/c1-9-11(21-8-20-9)5-13(24)23-4-2-3-10(7-23)14-19-6-12(22-14)15(16,17)18/h6,8,10H,2-5,7H2,1H3,(H,19,22)(H,20,21)
InChIKeyNOSRPSOLDSWMQL-UHFFFAOYSA-N
XLogP2.41
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (CID 167910555) is 2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is Cc1[nH]cnc1CC(=O)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is NOSRPSOLDSWMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-9-11(21-8-20-9)5-13(24)23-4-2-3-10(7-23)14-19-6-12(22-14)15(16,17)18/h6,8,10H,2-5,7H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 341.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 167910555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).