6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole

C14H14BrFN4 — CID 84611166

IUPAC6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole
SMILESCc1nc2n(C)c(CCc3ccccc3F)nn2c1Br
InChIInChI=1S/C14H14BrFN4/c1-9-13(15)20-14(17-9)19(2)12(18-20)8-7-10-5-3-4-6-11(10)16/h3-6H,7-8H2,1-2H3
InChIKeyNZCBHISYKZOMOY-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.06
Rot. Bonds3

About 6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole

6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole (PubChem CID 84611166) has the molecular formula C14H14BrFN4 and a molecular weight of 337.20 g/mol. Its IUPAC name is 6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole
PubChem CID84611166
Molecular FormulaC14H14BrFN4
Molecular Weight337.20 g/mol
Exact Mass336.04
IUPAC Name6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole
SMILESCc1nc2n(C)c(CCc3ccccc3F)nn2c1Br
InChIInChI=1S/C14H14BrFN4/c1-9-13(15)20-14(17-9)19(2)12(18-20)8-7-10-5-3-4-6-11(10)16/h3-6H,7-8H2,1-2H3
InChIKeyNZCBHISYKZOMOY-UHFFFAOYSA-N
XLogP3.06
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3-[2-(2-fluorophenyl)ethyl]-6-methylimidazo[1,5-a]pyridine
CID 84745023
5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 43554049
3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine
CID 82079512
[4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 82472571
1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole
CID 43510646
N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475197
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111362093
N-[2-(2-fluorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 63151902
2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042037
[3-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methanamine
CID 94285862
1-[2-(2-fluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106557413

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole?
The IUPAC name of 6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole (CID 84611166) is 6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole?
The canonical SMILES for 6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole is Cc1nc2n(C)c(CCc3ccccc3F)nn2c1Br.
What is the InChIKey of 6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole?
The InChIKey is NZCBHISYKZOMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4/c1-9-13(15)20-14(17-9)19(2)12(18-20)8-7-10-5-3-4-6-11(10)16/h3-6H,7-8H2,1-2H3.
What are the key properties of 6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole?
6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole has a molecular weight of 337.20 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[2-(2-fluorophenyl)ethyl]-3,5-dimethylimidazo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 84611166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).