5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline

C27H26N2O4 — CID 23167688

IUPAC5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESCOc1cc(COc2ccc(C3=Cc4ccccc4C4=NCCN34)cc2)cc(OC)c1OC
InChIInChI=1S/C27H26N2O4/c1-30-24-14-18(15-25(31-2)26(24)32-3)17-33-21-10-8-19(9-11-21)23-16-20-6-4-5-7-22(20)27-28-12-13-29(23)27/h4-11,14-16H,12-13,17H2,1-3H3
InChIKeyGZBIOWVTSPSJHG-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.87
Rot. Bonds7

About 5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline

5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 23167688) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
PubChem CID23167688
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESCOc1cc(COc2ccc(C3=Cc4ccccc4C4=NCCN34)cc2)cc(OC)c1OC
InChIInChI=1S/C27H26N2O4/c1-30-24-14-18(15-25(31-2)26(24)32-3)17-33-21-10-8-19(9-11-21)23-16-20-6-4-5-7-22(20)27-28-12-13-29(23)27/h4-11,14-16H,12-13,17H2,1-3H3
InChIKeyGZBIOWVTSPSJHG-UHFFFAOYSA-N
XLogP4.87
TPSA52.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[2-(2-methoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline;hydrochloride
CID 14676815
11-methyl-7-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-10-oxa-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene
CID 14964722
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
CID 10406000
4-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19626867
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
4-(4-chlorophenyl)-3-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-1H-1,2,4-triazole-5-thione
CID 132516254
1-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
CID 174871893
(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate
CID 9095553
3-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624482
N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide
CID 11640049
N-[(4-methoxyphenyl)methyl]-2-[4-(phenoxymethyl)triazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 155554926
1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine
CID 13194422

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline (CID 23167688) is 5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline is COc1cc(COc2ccc(C3=Cc4ccccc4C4=NCCN34)cc2)cc(OC)c1OC.
What is the InChIKey of 5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline?
The InChIKey is GZBIOWVTSPSJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-30-24-14-18(15-25(31-2)26(24)32-3)17-33-21-10-8-19(9-11-21)23-16-20-6-4-5-7-22(20)27-28-12-13-29(23)27/h4-11,14-16H,12-13,17H2,1-3H3.
What are the key properties of 5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline?
5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline has a molecular weight of 442.52 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 23167688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).