5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline

C21H16N2 — CID 10402322

IUPAC5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESC1=C(c2ccc3ccccc3c2)N2CCN=C2c2ccccc21
InChIInChI=1S/C21H16N2/c1-2-6-16-13-18(10-9-15(16)5-1)20-14-17-7-3-4-8-19(17)21-22-11-12-23(20)21/h1-10,13-14H,11-12H2
InChIKeyXYTOUZYZGKDNQN-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.41
Rot. Bonds1

About 5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline

5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 10402322) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline
PubChem CID10402322
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESC1=C(c2ccc3ccccc3c2)N2CCN=C2c2ccccc21
InChIInChI=1S/C21H16N2/c1-2-6-16-13-18(10-9-15(16)5-1)20-14-17-7-3-4-8-19(17)21-22-11-12-23(20)21/h1-10,13-14H,11-12H2
InChIKeyXYTOUZYZGKDNQN-UHFFFAOYSA-N
XLogP4.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11769428
2-(4-naphthalen-2-ylphenyl)aniline
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1-naphthalen-2-ylacridine
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4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59501483
2-amino-3-naphthalen-2-ylphenol
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CID 134433047

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline (CID 10402322) is 5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline is C1=C(c2ccc3ccccc3c2)N2CCN=C2c2ccccc21.
What is the InChIKey of 5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline?
The InChIKey is XYTOUZYZGKDNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-2-6-16-13-18(10-9-15(16)5-1)20-14-17-7-3-4-8-19(17)21-22-11-12-23(20)21/h1-10,13-14H,11-12H2.
What are the key properties of 5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline?
5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline has a molecular weight of 296.37 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-2,3-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 10402322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).