2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine

C24H19N3 — CID 18691274

IUPAC2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine
SMILESCc1ccccc1-c1nc2c3cc(-c4ccccc4)ccc3ccn2c1N
InChIInChI=1S/C24H19N3/c1-16-7-5-6-10-20(16)22-23(25)27-14-13-18-11-12-19(15-21(18)24(27)26-22)17-8-3-2-4-9-17/h2-15H,25H2,1H3
InChIKeyDERFLNJPVJTCKL-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.71
Rot. Bonds2

About 2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine

2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine (PubChem CID 18691274) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine
PubChem CID18691274
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine
SMILESCc1ccccc1-c1nc2c3cc(-c4ccccc4)ccc3ccn2c1N
InChIInChI=1S/C24H19N3/c1-16-7-5-6-10-20(16)22-23(25)27-14-13-18-11-12-19(15-21(18)24(27)26-22)17-8-3-2-4-9-17/h2-15H,25H2,1H3
InChIKeyDERFLNJPVJTCKL-UHFFFAOYSA-N
XLogP5.71
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine?
The IUPAC name of 2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine (CID 18691274) is 2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine.
What is the SMILES notation for 2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine?
The canonical SMILES for 2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine is Cc1ccccc1-c1nc2c3cc(-c4ccccc4)ccc3ccn2c1N.
What is the InChIKey of 2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine?
The InChIKey is DERFLNJPVJTCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-16-7-5-6-10-20(16)22-23(25)27-14-13-18-11-12-19(15-21(18)24(27)26-22)17-8-3-2-4-9-17/h2-15H,25H2,1H3.
What are the key properties of 2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine?
2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine has a molecular weight of 349.44 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine is sourced from PubChem (CID 18691274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).