2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine

C15H20F2N6O — CID 75383887

IUPAC2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine
SMILESCCOc1cncc(N2CCN(Cc3nccn3C(F)F)CC2)n1
InChIInChI=1S/C15H20F2N6O/c1-2-24-14-10-18-9-12(20-14)22-7-5-21(6-8-22)11-13-19-3-4-23(13)15(16)17/h3-4,9-10,15H,2,5-8,11H2,1H3
InChIKeyLNMQMSJBMYMAHE-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.79
Rot. Bonds6

About 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine

2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine (PubChem CID 75383887) has the molecular formula C15H20F2N6O and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine.

Molecular Properties

Compound Name2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine
PubChem CID75383887
Molecular FormulaC15H20F2N6O
Molecular Weight338.36 g/mol
Exact Mass338.17
IUPAC Name2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine
SMILESCCOc1cncc(N2CCN(Cc3nccn3C(F)F)CC2)n1
InChIInChI=1S/C15H20F2N6O/c1-2-24-14-10-18-9-12(20-14)22-7-5-21(6-8-22)11-13-19-3-4-23(13)15(16)17/h3-4,9-10,15H,2,5-8,11H2,1H3
InChIKeyLNMQMSJBMYMAHE-UHFFFAOYSA-N
XLogP1.79
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine?
The IUPAC name of 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine (CID 75383887) is 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine.
What is the SMILES notation for 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine?
The canonical SMILES for 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine is CCOc1cncc(N2CCN(Cc3nccn3C(F)F)CC2)n1.
What is the InChIKey of 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine?
The InChIKey is LNMQMSJBMYMAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N6O/c1-2-24-14-10-18-9-12(20-14)22-7-5-21(6-8-22)11-13-19-3-4-23(13)15(16)17/h3-4,9-10,15H,2,5-8,11H2,1H3.
What are the key properties of 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine?
2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine has a molecular weight of 338.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrazine is sourced from PubChem (CID 75383887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).