2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline

C22H15FN2S — CID 51359835

IUPAC2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
SMILESFc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1
InChIInChI=1S/C22H15FN2S/c23-18-7-5-17(6-8-18)21-20(13-15-10-12-26-14-15)25-11-9-16-3-1-2-4-19(16)22(25)24-21/h1-12,14H,13H2
InChIKeyAJCJXTYJEIBEDM-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.95
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline

2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline (PubChem CID 51359835) has the molecular formula C22H15FN2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
PubChem CID51359835
Molecular FormulaC22H15FN2S
Molecular Weight358.44 g/mol
Exact Mass358.09
IUPAC Name2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
SMILESFc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1
InChIInChI=1S/C22H15FN2S/c23-18-7-5-17(6-8-18)21-20(13-15-10-12-26-14-15)25-11-9-16-3-1-2-4-19(16)22(25)24-21/h1-12,14H,13H2
InChIKeyAJCJXTYJEIBEDM-UHFFFAOYSA-N
XLogP5.95
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline (CID 51359835) is 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline is Fc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
The InChIKey is AJCJXTYJEIBEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2S/c23-18-7-5-17(6-8-18)21-20(13-15-10-12-26-14-15)25-11-9-16-3-1-2-4-19(16)22(25)24-21/h1-12,14H,13H2.
What are the key properties of 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline has a molecular weight of 358.44 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).