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

C25H19FN2 — CID 51359368

IUPAC3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline
SMILESCc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(F)c2)cc1
InChIInChI=1S/C25H19FN2/c1-17-9-11-20(12-10-17)24-23(16-18-5-4-7-21(26)15-18)28-14-13-19-6-2-3-8-22(19)25(28)27-24/h2-15H,16H2,1H3
InChIKeyCDSIEDSJMIRWBA-UHFFFAOYSA-N
MW366.44 g/mol
LogP6.19
Rot. Bonds3

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

3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline (PubChem CID 51359368) has the molecular formula C25H19FN2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline
PubChem CID51359368
Molecular FormulaC25H19FN2
Molecular Weight366.44 g/mol
Exact Mass366.15
IUPAC Name3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline
SMILESCc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(F)c2)cc1
InChIInChI=1S/C25H19FN2/c1-17-9-11-20(12-10-17)24-23(16-18-5-4-7-21(26)15-18)28-14-13-19-6-2-3-8-22(19)25(28)27-24/h2-15H,16H2,1H3
InChIKeyCDSIEDSJMIRWBA-UHFFFAOYSA-N
XLogP6.19
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 51360074
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline
CID 3615651
3-methyl-2-phenylimidazo[2,1-a]isoquinoline
CID 757851
3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline
CID 51359837
methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 53299477
1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
CID 67141869
3-[(3-fluorophenyl)methyl]-6-methyl-2-propylimidazo[1,2-a]pyridine
CID 51359060
(2-methylimidazo[2,1-a]isoquinolin-3-yl)methanamine
CID 115027407
3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline
CID 53299495
N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline
CID 166067979
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53036640
2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 51359989

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline (CID 51359368) is 3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline is Cc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(F)c2)cc1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline?
The InChIKey is CDSIEDSJMIRWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2/c1-17-9-11-20(12-10-17)24-23(16-18-5-4-7-21(26)15-18)28-14-13-19-6-2-3-8-22(19)25(28)27-24/h2-15H,16H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline?
3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline has a molecular weight of 366.44 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).