5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole

C15H15F3N4 — CID 172744174

IUPAC5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole
SMILESCC(C)(C)c1cn(-c2ccc3[nH]ncc3c2)c(C(F)(F)F)n1
InChIInChI=1S/C15H15F3N4/c1-14(2,3)12-8-22(13(20-12)15(16,17)18)10-4-5-11-9(6-10)7-19-21-11/h4-8H,1-3H3,(H,19,21)
InChIKeyJMPHEKAXTWJEMG-UHFFFAOYSA-N
MW308.31 g/mol
LogP4.06
Rot. Bonds1

About 5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole

5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole (PubChem CID 172744174) has the molecular formula C15H15F3N4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole.

Molecular Properties

Compound Name5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole
PubChem CID172744174
Molecular FormulaC15H15F3N4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole
SMILESCC(C)(C)c1cn(-c2ccc3[nH]ncc3c2)c(C(F)(F)F)n1
InChIInChI=1S/C15H15F3N4/c1-14(2,3)12-8-22(13(20-12)15(16,17)18)10-4-5-11-9(6-10)7-19-21-11/h4-8H,1-3H3,(H,19,21)
InChIKeyJMPHEKAXTWJEMG-UHFFFAOYSA-N
XLogP4.06
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole
CID 177106243
5-(2-cyclopropyl-4-methylimidazol-1-yl)-1H-indazole
CID 172763000
5-(2-tert-butyl-4-pyridinyl)-1H-indazole
CID 58588587
N-(2,2,2-trifluoroethyl)-1H-indazol-5-amine
CID 102049744
ethane;5-methyl-1H-indazole
CID 178026047
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole
CID 138396393
3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654554
2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol
CID 91063844
5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole
CID 172744342
5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole
CID 137346968
8-(1H-indazol-5-yl)-7-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 134474590
5-amino-3-tert-butyl-1-(1H-indazol-5-yl)pyrazole-4-carboxamide
CID 155543479

Frequently Asked Questions

What is the IUPAC name of 5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole?
The IUPAC name of 5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole (CID 172744174) is 5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole.
What is the SMILES notation for 5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole?
The canonical SMILES for 5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole is CC(C)(C)c1cn(-c2ccc3[nH]ncc3c2)c(C(F)(F)F)n1.
What is the InChIKey of 5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole?
The InChIKey is JMPHEKAXTWJEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4/c1-14(2,3)12-8-22(13(20-12)15(16,17)18)10-4-5-11-9(6-10)7-19-21-11/h4-8H,1-3H3,(H,19,21).
What are the key properties of 5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole?
5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole has a molecular weight of 308.31 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole is sourced from PubChem (CID 172744174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).