5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline

C21H22N2 — CID 10065779

IUPAC5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESCC(C)(C)c1ccc(C2=Cc3ccccc3C3=NCCN23)cc1
InChIInChI=1S/C21H22N2/c1-21(2,3)17-10-8-15(9-11-17)19-14-16-6-4-5-7-18(16)20-22-12-13-23(19)20/h4-11,14H,12-13H2,1-3H3
InChIKeyAOAPRAZBFITKHR-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.56
Rot. Bonds1

About 5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline

5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 10065779) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
PubChem CID10065779
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESCC(C)(C)c1ccc(C2=Cc3ccccc3C3=NCCN23)cc1
InChIInChI=1S/C21H22N2/c1-21(2,3)17-10-8-15(9-11-17)19-14-16-6-4-5-7-18(16)20-22-12-13-23(19)20/h4-11,14H,12-13H2,1-3H3
InChIKeyAOAPRAZBFITKHR-UHFFFAOYSA-N
XLogP4.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline (CID 10065779) is 5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline is CC(C)(C)c1ccc(C2=Cc3ccccc3C3=NCCN23)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The InChIKey is AOAPRAZBFITKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-21(2,3)17-10-8-15(9-11-17)19-14-16-6-4-5-7-18(16)20-22-12-13-23(19)20/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline has a molecular weight of 302.42 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 10065779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).