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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Related Compounds

5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 71114711
8-ethyl-11-propan-2-yl-5-(trifluoromethyl)-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 167172874
3-phenyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67191628
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 53408255
9-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-6-yl)carbazole
CID 171052794
1-[3-[2,2-dimethyl-7-(trifluoromethyl)-3H-pyrido[3,2-b][1,4]oxazin-4-yl]phenyl]azetidine-3-carboxylic acid
CID 118331380
(10S)-8-methyl-12-propan-2-yl-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 171587525
10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
CID 137410547
1-phenyl-6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-quinoline
CID 167562902
5-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 157460278
8,12-di(propan-2-yl)-5-(trifluoromethyl)-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 167173828
3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 28818263

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).