2-thiophen-2-ylimidazo[2,1-a]isoquinoline

C15H10N2S — CID 763549

IUPAC2-thiophen-2-ylimidazo[2,1-a]isoquinoline
SMILESc1csc(-c2cn3ccc4ccccc4c3n2)c1
InChIInChI=1S/C15H10N2S/c1-2-5-12-11(4-1)7-8-17-10-13(16-15(12)17)14-6-3-9-18-14/h1-10H
InChIKeyLYUNEGGFOJLIOK-UHFFFAOYSA-N
MW250.33 g/mol
LogP4.22
Rot. Bonds1

About 2-thiophen-2-ylimidazo[2,1-a]isoquinoline

2-thiophen-2-ylimidazo[2,1-a]isoquinoline (PubChem CID 763549) has the molecular formula C15H10N2S and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-thiophen-2-ylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-thiophen-2-ylimidazo[2,1-a]isoquinoline
PubChem CID763549
Molecular FormulaC15H10N2S
Molecular Weight250.33 g/mol
Exact Mass250.06
IUPAC Name2-thiophen-2-ylimidazo[2,1-a]isoquinoline
SMILESc1csc(-c2cn3ccc4ccccc4c3n2)c1
InChIInChI=1S/C15H10N2S/c1-2-5-12-11(4-1)7-8-17-10-13(16-15(12)17)14-6-3-9-18-14/h1-10H
InChIKeyLYUNEGGFOJLIOK-UHFFFAOYSA-N
XLogP4.22
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylimidazo[2,1-a]isoquinoline?
The IUPAC name of 2-thiophen-2-ylimidazo[2,1-a]isoquinoline (CID 763549) is 2-thiophen-2-ylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-thiophen-2-ylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-thiophen-2-ylimidazo[2,1-a]isoquinoline is c1csc(-c2cn3ccc4ccccc4c3n2)c1.
What is the InChIKey of 2-thiophen-2-ylimidazo[2,1-a]isoquinoline?
The InChIKey is LYUNEGGFOJLIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2S/c1-2-5-12-11(4-1)7-8-17-10-13(16-15(12)17)14-6-3-9-18-14/h1-10H.
What are the key properties of 2-thiophen-2-ylimidazo[2,1-a]isoquinoline?
2-thiophen-2-ylimidazo[2,1-a]isoquinoline has a molecular weight of 250.33 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 763549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).