2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine

C12H10ClF3N4 — CID 91541072

IUPAC2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine
SMILESCC(=Cn1c(-c2cncc(Cl)n2)cnc1C)C(F)(F)F
InChIInChI=1S/C12H10ClF3N4/c1-7(12(14,15)16)6-20-8(2)18-4-10(20)9-3-17-5-11(13)19-9/h3-6H,1-2H3
InChIKeySHZODDIKZOZMLB-UHFFFAOYSA-N
MW302.69 g/mol
LogP3.73
Rot. Bonds2

About 2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine

2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine (PubChem CID 91541072) has the molecular formula C12H10ClF3N4 and a molecular weight of 302.69 g/mol. Its IUPAC name is 2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine
PubChem CID91541072
Molecular FormulaC12H10ClF3N4
Molecular Weight302.69 g/mol
Exact Mass302.05
IUPAC Name2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine
SMILESCC(=Cn1c(-c2cncc(Cl)n2)cnc1C)C(F)(F)F
InChIInChI=1S/C12H10ClF3N4/c1-7(12(14,15)16)6-20-8(2)18-4-10(20)9-3-17-5-11(13)19-9/h3-6H,1-2H3
InChIKeySHZODDIKZOZMLB-UHFFFAOYSA-N
XLogP3.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.69
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-Chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine
CID 69720655
5-Chloro-3-(2,3-dimethylimidazol-4-yl)-2-fluoropyrazine
CID 57664666
5-[5-Chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]-1-oxidopyrimidin-1-ium
CID 69720831
5-[5-Chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidin-2-amine
CID 69726856
2-Chloro-5-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine
CID 71319131
2-Chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine
CID 87964561
7-(6-chloropyrazin-2-yl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 89495454
5-(4-Chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine
CID 135187224
5-Chloro-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 168228991
5-Chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633081
But-1-ene;5-chloro-2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170722439
5-Chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170722452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine?
The IUPAC name of 2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine (CID 91541072) is 2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine.
What is the SMILES notation for 2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine?
The canonical SMILES for 2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine is CC(=Cn1c(-c2cncc(Cl)n2)cnc1C)C(F)(F)F.
What is the InChIKey of 2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine?
The InChIKey is SHZODDIKZOZMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4/c1-7(12(14,15)16)6-20-8(2)18-4-10(20)9-3-17-5-11(13)19-9/h3-6H,1-2H3.
What are the key properties of 2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine?
2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine has a molecular weight of 302.69 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-methyl-3-(3,3,3-trifluoro-2-methylprop-1-enyl)imidazol-4-yl]pyrazine is sourced from PubChem (CID 91541072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).