3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide

C16H16F3IN3- — CID 158567085

IUPAC3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide
SMILESCC(C)N1CN(c2ccccc2)c2ncc(C(F)(F)F)cc21.[I-]
InChIInChI=1S/C16H16F3N3.HI/c1-11(2)21-10-22(13-6-4-3-5-7-13)15-14(21)8-12(9-20-15)16(17,18)19;/h3-9,11H,10H2,1-2H3;1H/p-1
InChIKeyHRPPYQUWZQNQDR-UHFFFAOYSA-M
MW434.22 g/mol
LogP1.43
Rot. Bonds2

About 3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide

3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide (PubChem CID 158567085) has the molecular formula C16H16F3IN3- and a molecular weight of 434.22 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide.

Molecular Properties

Compound Name3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide
PubChem CID158567085
Molecular FormulaC16H16F3IN3-
Molecular Weight434.22 g/mol
Exact Mass434.03
IUPAC Name3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide
SMILESCC(C)N1CN(c2ccccc2)c2ncc(C(F)(F)F)cc21.[I-]
InChIInChI=1S/C16H16F3N3.HI/c1-11(2)21-10-22(13-6-4-3-5-7-13)15-14(21)8-12(9-20-15)16(17,18)19;/h3-9,11H,10H2,1-2H3;1H/p-1
InChIKeyHRPPYQUWZQNQDR-UHFFFAOYSA-M
XLogP1.43
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide?
The IUPAC name of 3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide (CID 158567085) is 3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide.
What is the SMILES notation for 3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide?
The canonical SMILES for 3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide is CC(C)N1CN(c2ccccc2)c2ncc(C(F)(F)F)cc21.[I-].
What is the InChIKey of 3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide?
The InChIKey is HRPPYQUWZQNQDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16F3N3.HI/c1-11(2)21-10-22(13-6-4-3-5-7-13)15-14(21)8-12(9-20-15)16(17,18)19;/h3-9,11H,10H2,1-2H3;1H/p-1.
What are the key properties of 3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide?
3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide has a molecular weight of 434.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-yl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridine iodide is sourced from PubChem (CID 158567085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).