1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole

C12H8ClF3N6O — CID 88992091

IUPAC1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1CCOc1nnc(Cl)nn1
InChIInChI=1S/C12H8ClF3N6O/c13-10-18-20-11(21-19-10)23-6-5-22-8-4-2-1-3-7(8)17-9(22)12(14,15)16/h1-4H,5-6H2
InChIKeyCCIHWQZHHLKNJO-UHFFFAOYSA-N
MW344.68 g/mol
LogP2.37
Rot. Bonds4

About 1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole

1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole (PubChem CID 88992091) has the molecular formula C12H8ClF3N6O and a molecular weight of 344.68 g/mol. Its IUPAC name is 1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole
PubChem CID88992091
Molecular FormulaC12H8ClF3N6O
Molecular Weight344.68 g/mol
Exact Mass344.04
IUPAC Name1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1CCOc1nnc(Cl)nn1
InChIInChI=1S/C12H8ClF3N6O/c13-10-18-20-11(21-19-10)23-6-5-22-8-4-2-1-3-7(8)17-9(22)12(14,15)16/h1-4H,5-6H2
InChIKeyCCIHWQZHHLKNJO-UHFFFAOYSA-N
XLogP2.37
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
CID 611619
4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile
CID 35503113
3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]aniline
CID 94757330
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
CID 111469972
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(trifluoromethyl)benzimidazole
CID 16996825
2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-2-ol
CID 19242241
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
1-[3-(2-prop-2-enylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996797
1-[3-(4-nitrophenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 55876053
2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 17000405

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole (CID 88992091) is 1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole is FC(F)(F)c1nc2ccccc2n1CCOc1nnc(Cl)nn1.
What is the InChIKey of 1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole?
The InChIKey is CCIHWQZHHLKNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N6O/c13-10-18-20-11(21-19-10)23-6-5-22-8-4-2-1-3-7(8)17-9(22)12(14,15)16/h1-4H,5-6H2.
What are the key properties of 1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole?
1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole has a molecular weight of 344.68 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 88992091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).