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

C21H22N2 — CID 11779704

IUPAC5-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESCC(C)(C)c1cccc(C2=Cc3ccccc3C3=NCCN23)c1
InChIInChI=1S/C21H22N2/c1-21(2,3)17-9-6-8-16(13-17)19-14-15-7-4-5-10-18(15)20-22-11-12-23(19)20/h4-10,13-14H,11-12H2,1-3H3
InChIKeyGVSJNEVJDKYMFT-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.56
Rot. Bonds1

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

5-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 11779704) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
PubChem CID11779704
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name5-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESCC(C)(C)c1cccc(C2=Cc3ccccc3C3=NCCN23)c1
InChIInChI=1S/C21H22N2/c1-21(2,3)17-9-6-8-16(13-17)19-14-15-7-4-5-10-18(15)20-22-11-12-23(19)20/h4-10,13-14H,11-12H2,1-3H3
InChIKeyGVSJNEVJDKYMFT-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-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 5-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline (CID 11779704) is 5-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline is CC(C)(C)c1cccc(C2=Cc3ccccc3C3=NCCN23)c1.
What is the InChIKey of 5-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
The InChIKey is GVSJNEVJDKYMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-21(2,3)17-9-6-8-16(13-17)19-14-15-7-4-5-10-18(15)20-22-11-12-23(19)20/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 5-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline?
5-(3-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-(3-tert-butylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 11779704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).