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

C22H16N2S — CID 51359833

IUPAC2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
SMILESc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1
InChIInChI=1S/C22H16N2S/c1-2-7-18(8-3-1)21-20(14-16-11-13-25-15-16)24-12-10-17-6-4-5-9-19(17)22(24)23-21/h1-13,15H,14H2
InChIKeyOAYVFFGBYOBGCV-UHFFFAOYSA-N
MW340.45 g/mol
LogP5.81
Rot. Bonds3

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

2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline (PubChem CID 51359833) has the molecular formula C22H16N2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
PubChem CID51359833
Molecular FormulaC22H16N2S
Molecular Weight340.45 g/mol
Exact Mass340.10
IUPAC Name2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
SMILESc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1
InChIInChI=1S/C22H16N2S/c1-2-7-18(8-3-1)21-20(14-16-11-13-25-15-16)24-12-10-17-6-4-5-9-19(17)22(24)23-21/h1-13,15H,14H2
InChIKeyOAYVFFGBYOBGCV-UHFFFAOYSA-N
XLogP5.81
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline (CID 51359833) is 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline is c1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1.
What is the InChIKey of 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
The InChIKey is OAYVFFGBYOBGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2S/c1-2-7-18(8-3-1)21-20(14-16-11-13-25-15-16)24-12-10-17-6-4-5-9-19(17)22(24)23-21/h1-13,15H,14H2.
What are the key properties of 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline?
2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline has a molecular weight of 340.45 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).