2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine

C17H17IN2 — CID 10571546

IUPAC2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ccc(-c2cn3cc(I)ccc3n2)cc1
InChIInChI=1S/C17H17IN2/c1-17(2,3)13-6-4-12(5-7-13)15-11-20-10-14(18)8-9-16(20)19-15/h4-11H,1-3H3
InChIKeyPTMHHURSWIHXQK-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.90
Rot. Bonds1

About 2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine

2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine (PubChem CID 10571546) has the molecular formula C17H17IN2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine
PubChem CID10571546
Molecular FormulaC17H17IN2
Molecular Weight376.24 g/mol
Exact Mass376.04
IUPAC Name2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ccc(-c2cn3cc(I)ccc3n2)cc1
InChIInChI=1S/C17H17IN2/c1-17(2,3)13-6-4-12(5-7-13)15-11-20-10-14(18)8-9-16(20)19-15/h4-11H,1-3H3
InChIKeyPTMHHURSWIHXQK-UHFFFAOYSA-N
XLogP4.90
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]hydrazine
CID 23106734
2-(4-tert-butylphenyl)-7-methylimidazo[1,2-a]pyridine
CID 4837144
N-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 986158
3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole
CID 16738345
6-iodo-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 169323354
4-(6-iodoimidazo[1,2-a]pyridin-2-yl)-2-methoxyphenol
CID 68719321
2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazine
CID 10379220
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-ol
CID 117130812
2-(4-bromophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrobromide
CID 67122886
2-[4-(4-methylphenyl)phenyl]imidazo[1,2-a]pyridine
CID 58880683
[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 14155694
ethane;4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenol
CID 143799480

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine (CID 10571546) is 2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine is CC(C)(C)c1ccc(-c2cn3cc(I)ccc3n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine?
The InChIKey is PTMHHURSWIHXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2/c1-17(2,3)13-6-4-12(5-7-13)15-11-20-10-14(18)8-9-16(20)19-15/h4-11H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine?
2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine has a molecular weight of 376.24 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine is sourced from PubChem (CID 10571546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).