2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine

C10H8ClF3N4 — CID 172596791

IUPAC2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine
SMILESCCn1cc(C(F)(F)F)nc1-c1cnc(Cl)cn1
InChIInChI=1S/C10H8ClF3N4/c1-2-18-5-7(10(12,13)14)17-9(18)6-3-16-8(11)4-15-6/h3-5H,2H2,1H3
InChIKeyBAOJNLWXKZCAJF-UHFFFAOYSA-N
MW276.65 g/mol
LogP3.03
Rot. Bonds2

About 2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine

2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine (PubChem CID 172596791) has the molecular formula C10H8ClF3N4 and a molecular weight of 276.65 g/mol. Its IUPAC name is 2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine
PubChem CID172596791
Molecular FormulaC10H8ClF3N4
Molecular Weight276.65 g/mol
Exact Mass276.04
IUPAC Name2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine
SMILESCCn1cc(C(F)(F)F)nc1-c1cnc(Cl)cn1
InChIInChI=1S/C10H8ClF3N4/c1-2-18-5-7(10(12,13)14)17-9(18)6-3-16-8(11)4-15-6/h3-5H,2H2,1H3
InChIKeyBAOJNLWXKZCAJF-UHFFFAOYSA-N
XLogP3.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(trifluoromethyl)pyrazine;ethane
CID 144826305
2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
CID 172585614
2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine
CID 71319129
(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine
CID 165135333
5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 177117738
5-chloro-2-[[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842774
1-benzyl-2-methyl-4-(trifluoromethyl)imidazole
CID 101096639
5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 177117758
2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 153412150
2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoic acid
CID 134524849
2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 79072534
2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole
CID 162440281

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine?
The IUPAC name of 2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine (CID 172596791) is 2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine.
What is the SMILES notation for 2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine?
The canonical SMILES for 2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine is CCn1cc(C(F)(F)F)nc1-c1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine?
The InChIKey is BAOJNLWXKZCAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4/c1-2-18-5-7(10(12,13)14)17-9(18)6-3-16-8(11)4-15-6/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine?
2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine has a molecular weight of 276.65 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine is sourced from PubChem (CID 172596791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).