3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline

C25H20N2 — CID 46902777

IUPAC3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline
SMILESCc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2)cc1
InChIInChI=1S/C25H20N2/c1-18-11-13-21(14-12-18)24-23(17-19-7-3-2-4-8-19)27-16-15-20-9-5-6-10-22(20)25(27)26-24/h2-16H,17H2,1H3
InChIKeyVNPJWGLJOKXGHV-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.05
Rot. Bonds3

About 3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline

3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline (PubChem CID 46902777) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline
PubChem CID46902777
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline
SMILESCc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2)cc1
InChIInChI=1S/C25H20N2/c1-18-11-13-21(14-12-18)24-23(17-19-7-3-2-4-8-19)27-16-15-20-9-5-6-10-22(20)25(27)26-24/h2-16H,17H2,1H3
InChIKeyVNPJWGLJOKXGHV-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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline (CID 46902777) is 3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline is Cc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline?
The InChIKey is VNPJWGLJOKXGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-18-11-13-21(14-12-18)24-23(17-19-7-3-2-4-8-19)27-16-15-20-9-5-6-10-22(20)25(27)26-24/h2-16H,17H2,1H3.
What are the key properties of 3-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline?
3-benzyl-2-(4-methylphenyl)imidazo[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-benzyl-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 46902777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).