2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline

C26H21FN2O2 — CID 51359074

IUPAC2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCOc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(F)c2)cc1OC
InChIInChI=1S/C26H21FN2O2/c1-30-23-11-10-19(16-24(23)31-2)25-22(15-17-6-5-8-20(27)14-17)29-13-12-18-7-3-4-9-21(18)26(29)28-25/h3-14,16H,15H2,1-2H3
InChIKeyYCUWMXQQJPGXIK-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.90
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline

2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline (PubChem CID 51359074) has the molecular formula C26H21FN2O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline
PubChem CID51359074
Molecular FormulaC26H21FN2O2
Molecular Weight412.46 g/mol
Exact Mass412.16
IUPAC Name2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCOc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(F)c2)cc1OC
InChIInChI=1S/C26H21FN2O2/c1-30-23-11-10-19(16-24(23)31-2)25-22(15-17-6-5-8-20(27)14-17)29-13-12-18-7-3-4-9-21(18)26(29)28-25/h3-14,16H,15H2,1-2H3
InChIKeyYCUWMXQQJPGXIK-UHFFFAOYSA-N
XLogP5.90
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline (CID 51359074) is 2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline is COc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(F)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline?
The InChIKey is YCUWMXQQJPGXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O2/c1-30-23-11-10-19(16-24(23)31-2)25-22(15-17-6-5-8-20(27)14-17)29-13-12-18-7-3-4-9-21(18)26(29)28-25/h3-14,16H,15H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline?
2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline has a molecular weight of 412.46 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).