5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline

C15H12N2O — CID 10243193

IUPAC5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESC1=C(c2ccco2)N2CCN=C2c2ccccc21
InChIInChI=1S/C15H12N2O/c1-2-5-12-11(4-1)10-13(14-6-3-9-18-14)17-8-7-16-15(12)17/h1-6,9-10H,7-8H2
InChIKeyMPHXEVVWESQAFK-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.85
Rot. Bonds1

About 5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline

5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 10243193) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
PubChem CID10243193
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESC1=C(c2ccco2)N2CCN=C2c2ccccc21
InChIInChI=1S/C15H12N2O/c1-2-5-12-11(4-1)10-13(14-6-3-9-18-14)17-8-7-16-15(12)17/h1-6,9-10H,7-8H2
InChIKeyMPHXEVVWESQAFK-UHFFFAOYSA-N
XLogP2.85
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline (CID 10243193) is 5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline is C1=C(c2ccco2)N2CCN=C2c2ccccc21.
What is the InChIKey of 5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The InChIKey is MPHXEVVWESQAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-2-5-12-11(4-1)10-13(14-6-3-9-18-14)17-8-7-16-15(12)17/h1-6,9-10H,7-8H2.
What are the key properties of 5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline has a molecular weight of 236.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 10243193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).