1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine

C10H15F3N4 — CID 82622999

IUPAC1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine
SMILESCc1[nH]c(C(F)(F)F)nc1CN1CCNCC1
InChIInChI=1S/C10H15F3N4/c1-7-8(6-17-4-2-14-3-5-17)16-9(15-7)10(11,12)13/h14H,2-6H2,1H3,(H,15,16)
InChIKeyWMOJUFFQCMPHGY-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.14
Rot. Bonds2

About 1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine

1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine (PubChem CID 82622999) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine
PubChem CID82622999
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine
SMILESCc1[nH]c(C(F)(F)F)nc1CN1CCNCC1
InChIInChI=1S/C10H15F3N4/c1-7-8(6-17-4-2-14-3-5-17)16-9(15-7)10(11,12)13/h14H,2-6H2,1H3,(H,15,16)
InChIKeyWMOJUFFQCMPHGY-UHFFFAOYSA-N
XLogP1.14
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine (CID 82622999) is 1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine is Cc1[nH]c(C(F)(F)F)nc1CN1CCNCC1.
What is the InChIKey of 1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine?
The InChIKey is WMOJUFFQCMPHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-7-8(6-17-4-2-14-3-5-17)16-9(15-7)10(11,12)13/h14H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine?
1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine has a molecular weight of 248.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine is sourced from PubChem (CID 82622999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).