3-imidazo[2,1-a]isoquinolin-2-ylphenol

C17H12N2O — CID 13156070

IUPAC3-imidazo[2,1-a]isoquinolin-2-ylphenol
SMILESOc1cccc(-c2cn3ccc4ccccc4c3n2)c1
InChIInChI=1S/C17H12N2O/c20-14-6-3-5-13(10-14)16-11-19-9-8-12-4-1-2-7-15(12)17(19)18-16/h1-11,20H
InChIKeyKAEBHEJLXDMBQP-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.86
Rot. Bonds1

About 3-imidazo[2,1-a]isoquinolin-2-ylphenol

3-imidazo[2,1-a]isoquinolin-2-ylphenol (PubChem CID 13156070) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-imidazo[2,1-a]isoquinolin-2-ylphenol.

Molecular Properties

Compound Name3-imidazo[2,1-a]isoquinolin-2-ylphenol
PubChem CID13156070
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name3-imidazo[2,1-a]isoquinolin-2-ylphenol
SMILESOc1cccc(-c2cn3ccc4ccccc4c3n2)c1
InChIInChI=1S/C17H12N2O/c20-14-6-3-5-13(10-14)16-11-19-9-8-12-4-1-2-7-15(12)17(19)18-16/h1-11,20H
InChIKeyKAEBHEJLXDMBQP-UHFFFAOYSA-N
XLogP3.86
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[2,1-a]isoquinolin-2-ylphenol?
The IUPAC name of 3-imidazo[2,1-a]isoquinolin-2-ylphenol (CID 13156070) is 3-imidazo[2,1-a]isoquinolin-2-ylphenol.
What is the SMILES notation for 3-imidazo[2,1-a]isoquinolin-2-ylphenol?
The canonical SMILES for 3-imidazo[2,1-a]isoquinolin-2-ylphenol is Oc1cccc(-c2cn3ccc4ccccc4c3n2)c1.
What is the InChIKey of 3-imidazo[2,1-a]isoquinolin-2-ylphenol?
The InChIKey is KAEBHEJLXDMBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c20-14-6-3-5-13(10-14)16-11-19-9-8-12-4-1-2-7-15(12)17(19)18-16/h1-11,20H.
What are the key properties of 3-imidazo[2,1-a]isoquinolin-2-ylphenol?
3-imidazo[2,1-a]isoquinolin-2-ylphenol has a molecular weight of 260.30 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[2,1-a]isoquinolin-2-ylphenol is sourced from PubChem (CID 13156070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).