5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline

C25H28N2 — CID 10406000

About 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline

5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 10406000) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

• Compound Name: 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
• PubChem CID: 10406000
• Molecular Formula: C25H28N2
• Molecular Weight: 356.51 g/mol
• Exact Mass: 356.23
• IUPAC Name: 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
• SMILES: CC1(C)CCC(C)(C)c2cc(C3=Cc4ccccc4C4=NCCN34)ccc21
• InChI: InChI=1S/C25H28N2/c1-24(2)11-12-25(3,4)21-15-18(9-10-20(21)24)22-16-17-7-5-6-8-19(17)23-26-13-14-27(22)23/h5-10,15-16H,11-14H2,1-4H3
• InChIKey: FWCAFHGRKGZSJA-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	356.51
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline?

The IUPAC name of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline (CID 10406000) is 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline.

What is the SMILES notation for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline?

The canonical SMILES for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline is CC1(C)CCC(C)(C)c2cc(C3=Cc4ccccc4C4=NCCN34)ccc21.

What is the InChIKey of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline?

The InChIKey is FWCAFHGRKGZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-24(2)11-12-25(3,4)21-15-18(9-10-20(21)24)22-16-17-7-5-6-8-19(17)23-26-13-14-27(22)23/h5-10,15-16H,11-14H2,1-4H3.

What are the key properties of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline?

5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline has a molecular weight of 356.51 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 10406000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).