5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride

C26H25ClN2O — CID 14676815

IUPAC5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride
SMILESCOc1ccccc1CCc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1.Cl
InChIInChI=1S/C26H24N2O.ClH/c1-29-25-9-5-3-6-21(25)15-12-19-10-13-20(14-11-19)24-18-22-7-2-4-8-23(22)26-27-16-17-28(24)26;/h2-11,13-14,18H,12,15-17H2,1H3;1H
InChIKeyGFPABAZLCGRJJV-UHFFFAOYSA-N
MW416.95 g/mol
LogP5.48
Rot. Bonds5

About 5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride

5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride (PubChem CID 14676815) has the molecular formula C26H25ClN2O and a molecular weight of 416.95 g/mol. Its IUPAC name is 5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride.

Molecular Properties

Compound Name5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride
PubChem CID14676815
Molecular FormulaC26H25ClN2O
Molecular Weight416.95 g/mol
Exact Mass416.17
IUPAC Name5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride
SMILESCOc1ccccc1CCc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1.Cl
InChIInChI=1S/C26H24N2O.ClH/c1-29-25-9-5-3-6-21(25)15-12-19-10-13-20(14-11-19)24-18-22-7-2-4-8-23(22)26-27-16-17-28(24)26;/h2-11,13-14,18H,12,15-17H2,1H3;1H
InChIKeyGFPABAZLCGRJJV-UHFFFAOYSA-N
XLogP5.48
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.95
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
CID 14676800
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
CID 10406000
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-1-methyl-4,5-dihydroimidazole
CID 11646449
N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 146607964
1-methoxy-2-[(4-phenylphenyl)methyl]benzene
CID 174370208
5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 6486679
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17207419
1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
CID 170863135
1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene
CID 24807987
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride?
The IUPAC name of 5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride (CID 14676815) is 5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride.
What is the SMILES notation for 5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride?
The canonical SMILES for 5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride is COc1ccccc1CCc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1.Cl.
What is the InChIKey of 5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride?
The InChIKey is GFPABAZLCGRJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O.ClH/c1-29-25-9-5-3-6-21(25)15-12-19-10-13-20(14-11-19)24-18-22-7-2-4-8-23(22)26-27-16-17-28(24)26;/h2-11,13-14,18H,12,15-17H2,1H3;1H.
What are the key properties of 5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride?
5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride has a molecular weight of 416.95 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride is sourced from PubChem (CID 14676815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).