3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol

C16H15IN2O2 — CID 24880821

IUPAC3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol
SMILESOCCCOc1ccc(-c2cn3cc([123I])ccc3n2)cc1
InChIInChI=1S/C16H15IN2O2/c17-13-4-7-16-18-15(11-19(16)10-13)12-2-5-14(6-3-12)21-9-1-8-20/h2-7,10-11,20H,1,8-9H2/i17-4
InChIKeyLHOLEEXIGAICPS-HHRLKWFBSA-N
MW390.21 g/mol
LogP3.37
Rot. Bonds5

About 3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol

3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol (PubChem CID 24880821) has the molecular formula C16H15IN2O2 and a molecular weight of 390.21 g/mol. Its IUPAC name is 3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol
PubChem CID24880821
Molecular FormulaC16H15IN2O2
Molecular Weight390.21 g/mol
Exact Mass390.02
IUPAC Name3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol
SMILESOCCCOc1ccc(-c2cn3cc([123I])ccc3n2)cc1
InChIInChI=1S/C16H15IN2O2/c17-13-4-7-16-18-15(11-19(16)10-13)12-2-5-14(6-3-12)21-9-1-8-20/h2-7,10-11,20H,1,8-9H2/i17-4
InChIKeyLHOLEEXIGAICPS-HHRLKWFBSA-N
XLogP3.37
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol
CID 24880820
2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine
CID 135215156
2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine
CID 68587943
2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine
CID 130385568
[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanol
CID 54382865
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
CID 52947788
4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline
CID 87627962
[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 82356943
2-[3-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol
CID 24880884
[2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 82356958
[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 14155694

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol?
The IUPAC name of 3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol (CID 24880821) is 3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol?
The canonical SMILES for 3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol is OCCCOc1ccc(-c2cn3cc([123I])ccc3n2)cc1.
What is the InChIKey of 3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol?
The InChIKey is LHOLEEXIGAICPS-HHRLKWFBSA-N. The full InChI is InChI=1S/C16H15IN2O2/c17-13-4-7-16-18-15(11-19(16)10-13)12-2-5-14(6-3-12)21-9-1-8-20/h2-7,10-11,20H,1,8-9H2/i17-4.
What are the key properties of 3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol?
3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol has a molecular weight of 390.21 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol is sourced from PubChem (CID 24880821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).