5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline

C18H13F3N2 — CID 10470867

IUPAC5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESFC(F)(F)c1cccc(C2=Cc3ccccc3C3=NCCN23)c1
InChIInChI=1S/C18H13F3N2/c19-18(20,21)14-6-3-5-13(10-14)16-11-12-4-1-2-7-15(12)17-22-8-9-23(16)17/h1-7,10-11H,8-9H2
InChIKeyWAPIGQCOZADHIY-UHFFFAOYSA-N
MW314.31 g/mol
LogP4.28
Rot. Bonds1

About 5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline

5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 10470867) has the molecular formula C18H13F3N2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
PubChem CID10470867
Molecular FormulaC18H13F3N2
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESFC(F)(F)c1cccc(C2=Cc3ccccc3C3=NCCN23)c1
InChIInChI=1S/C18H13F3N2/c19-18(20,21)14-6-3-5-13(10-14)16-11-12-4-1-2-7-15(12)17-22-8-9-23(16)17/h1-7,10-11H,8-9H2
InChIKeyWAPIGQCOZADHIY-UHFFFAOYSA-N
XLogP4.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 54.28
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-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline (CID 10470867) is 5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline is FC(F)(F)c1cccc(C2=Cc3ccccc3C3=NCCN23)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline?
The InChIKey is WAPIGQCOZADHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2/c19-18(20,21)14-6-3-5-13(10-14)16-11-12-4-1-2-7-15(12)17-22-8-9-23(16)17/h1-7,10-11H,8-9H2.
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline?
5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline has a molecular weight of 314.31 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 10470867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).