3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline

C22H16N2O — CID 51359022

IUPAC3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline
SMILESc1ccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)cc1
InChIInChI=1S/C22H16N2O/c1-2-7-16(8-3-1)15-19-21(20-11-6-14-25-20)23-22-18-10-5-4-9-17(18)12-13-24(19)22/h1-14H,15H2
InChIKeyXEXUOTIREUSVKK-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.34
Rot. Bonds3

About 3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline

3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline (PubChem CID 51359022) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline
PubChem CID51359022
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline
SMILESc1ccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)cc1
InChIInChI=1S/C22H16N2O/c1-2-7-16(8-3-1)15-19-21(20-11-6-14-25-20)23-22-18-10-5-4-9-17(18)12-13-24(19)22/h1-14H,15H2
InChIKeyXEXUOTIREUSVKK-UHFFFAOYSA-N
XLogP5.34
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline (CID 51359022) is 3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline is c1ccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)cc1.
What is the InChIKey of 3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline?
The InChIKey is XEXUOTIREUSVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c1-2-7-16(8-3-1)15-19-21(20-11-6-14-25-20)23-22-18-10-5-4-9-17(18)12-13-24(19)22/h1-14H,15H2.
What are the key properties of 3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline?
3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline has a molecular weight of 324.38 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).