3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline

C25H20N2 — CID 53299419

IUPAC3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline
SMILESCc1ccc(Cc2c(-c3ccccc3)nc3c4ccccc4ccn23)cc1
InChIInChI=1S/C25H20N2/c1-18-11-13-19(14-12-18)17-23-24(21-8-3-2-4-9-21)26-25-22-10-6-5-7-20(22)15-16-27(23)25/h2-16H,17H2,1H3
InChIKeyIDTQOIIHVITMSE-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.05
Rot. Bonds3

About 3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline

3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline (PubChem CID 53299419) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline
PubChem CID53299419
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline
SMILESCc1ccc(Cc2c(-c3ccccc3)nc3c4ccccc4ccn23)cc1
InChIInChI=1S/C25H20N2/c1-18-11-13-19(14-12-18)17-23-24(21-8-3-2-4-9-21)26-25-22-10-6-5-7-20(22)15-16-27(23)25/h2-16H,17H2,1H3
InChIKeyIDTQOIIHVITMSE-UHFFFAOYSA-N
XLogP6.05
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(4-methylphenyl)methyl]-2-phenylimidazo[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-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline?
The IUPAC name of 3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline (CID 53299419) is 3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline is Cc1ccc(Cc2c(-c3ccccc3)nc3c4ccccc4ccn23)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline?
The InChIKey is IDTQOIIHVITMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-18-11-13-19(14-12-18)17-23-24(21-8-3-2-4-9-21)26-25-22-10-6-5-7-20(22)15-16-27(23)25/h2-16H,17H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline?
3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline has a molecular weight of 348.45 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 53299419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).