4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine

C15H20F3N3 — CID 134451229

IUPAC4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc(C(F)(F)F)c(C(C)(C)C)c2c1=NCN=2
InChIInChI=1S/C15H20F3N3/c1-13(2,3)8-9-10(20-7-19-9)12(14(4,5)6)21-11(8)15(16,17)18/h7H2,1-6H3
InChIKeyMIBDQBXIBZMLFL-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.91
Rot. Bonds

About 4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine

4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine (PubChem CID 134451229) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine
PubChem CID134451229
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc(C(F)(F)F)c(C(C)(C)C)c2c1=NCN=2
InChIInChI=1S/C15H20F3N3/c1-13(2,3)8-9-10(20-7-19-9)12(14(4,5)6)21-11(8)15(16,17)18/h7H2,1-6H3
InChIKeyMIBDQBXIBZMLFL-UHFFFAOYSA-N
XLogP2.91
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine?
The IUPAC name of 4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine (CID 134451229) is 4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine is CC(C)(C)c1nc(C(F)(F)F)c(C(C)(C)C)c2c1=NCN=2.
What is the InChIKey of 4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine?
The InChIKey is MIBDQBXIBZMLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-13(2,3)8-9-10(20-7-19-9)12(14(4,5)6)21-11(8)15(16,17)18/h7H2,1-6H3.
What are the key properties of 4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine?
4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine has a molecular weight of 299.34 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 134451229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).