6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine

C15H13IN2O — CID 122385978

IUPAC6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine
SMILESCOC(c1ccccc1)c1cnc2ccc(I)cn12
InChIInChI=1S/C15H13IN2O/c1-19-15(11-5-3-2-4-6-11)13-9-17-14-8-7-12(16)10-18(13)14/h2-10,15H,1H3
InChIKeyQGMMJUNPGPNWCG-UHFFFAOYSA-N
MW364.19 g/mol
LogP3.67
Rot. Bonds3

About 6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine

6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine (PubChem CID 122385978) has the molecular formula C15H13IN2O and a molecular weight of 364.19 g/mol. Its IUPAC name is 6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine
PubChem CID122385978
Molecular FormulaC15H13IN2O
Molecular Weight364.19 g/mol
Exact Mass364.01
IUPAC Name6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine
SMILESCOC(c1ccccc1)c1cnc2ccc(I)cn12
InChIInChI=1S/C15H13IN2O/c1-19-15(11-5-3-2-4-6-11)13-9-17-14-8-7-12(16)10-18(13)14/h2-10,15H,1H3
InChIKeyQGMMJUNPGPNWCG-UHFFFAOYSA-N
XLogP3.67
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.67
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 6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine (CID 122385978) is 6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine is COC(c1ccccc1)c1cnc2ccc(I)cn12.
What is the InChIKey of 6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is QGMMJUNPGPNWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O/c1-19-15(11-5-3-2-4-6-11)13-9-17-14-8-7-12(16)10-18(13)14/h2-10,15H,1H3.
What are the key properties of 6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine?
6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 364.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-[methoxy(phenyl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 122385978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).