6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C18H17F3N2 — CID 90178680

IUPAC6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ccc(-c2cc(C(F)(F)F)c3nccn3c2)cc1
InChIInChI=1S/C18H17F3N2/c1-17(2,3)14-6-4-12(5-7-14)13-10-15(18(19,20)21)16-22-8-9-23(16)11-13/h4-11H,1-3H3
InChIKeyJTXNQJLJYVDMJN-UHFFFAOYSA-N
MW318.34 g/mol
LogP5.32
Rot. Bonds1

About 6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine

6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 90178680) has the molecular formula C18H17F3N2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID90178680
Molecular FormulaC18H17F3N2
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ccc(-c2cc(C(F)(F)F)c3nccn3c2)cc1
InChIInChI=1S/C18H17F3N2/c1-17(2,3)14-6-4-12(5-7-14)13-10-15(18(19,20)21)16-22-8-9-23(16)11-13/h4-11H,1-3H3
InChIKeyJTXNQJLJYVDMJN-UHFFFAOYSA-N
XLogP5.32
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.34
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 90178680) is 6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine is CC(C)(C)c1ccc(-c2cc(C(F)(F)F)c3nccn3c2)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is JTXNQJLJYVDMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2/c1-17(2,3)14-6-4-12(5-7-14)13-10-15(18(19,20)21)16-22-8-9-23(16)11-13/h4-11H,1-3H3.
What are the key properties of 6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 318.34 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 90178680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).