3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline

C24H16ClFN2 — CID 51359823

IUPAC3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline
SMILESFc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H16ClFN2/c25-19-6-3-4-16(14-19)15-22-23(18-8-10-20(26)11-9-18)27-24-21-7-2-1-5-17(21)12-13-28(22)24/h1-14H,15H2
InChIKeyQGUAFUVGKJRWBI-UHFFFAOYSA-N
MW386.86 g/mol
LogP6.54
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline

3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline (PubChem CID 51359823) has the molecular formula C24H16ClFN2 and a molecular weight of 386.86 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline
PubChem CID51359823
Molecular FormulaC24H16ClFN2
Molecular Weight386.86 g/mol
Exact Mass386.10
IUPAC Name3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline
SMILESFc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H16ClFN2/c25-19-6-3-4-16(14-19)15-22-23(18-8-10-20(26)11-9-18)27-24-21-7-2-1-5-17(21)12-13-28(22)24/h1-14H,15H2
InChIKeyQGUAFUVGKJRWBI-UHFFFAOYSA-N
XLogP6.54
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.86
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)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 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline (CID 51359823) is 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline is Fc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline?
The InChIKey is QGUAFUVGKJRWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN2/c25-19-6-3-4-16(14-19)15-22-23(18-8-10-20(26)11-9-18)27-24-21-7-2-1-5-17(21)12-13-28(22)24/h1-14H,15H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline?
3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline has a molecular weight of 386.86 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).