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

C26H21FN2O — CID 51359839

IUPAC2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCOc1ccc(Cc2c(-c3ccc(F)cc3)nc3c4ccccc4ccn23)c(C)c1
InChIInChI=1S/C26H21FN2O/c1-17-15-22(30-2)12-9-20(17)16-24-25(19-7-10-21(27)11-8-19)28-26-23-6-4-3-5-18(23)13-14-29(24)26/h3-15H,16H2,1-2H3
InChIKeyRYZHAJXRVCWMDX-UHFFFAOYSA-N
MW396.47 g/mol
LogP6.20
Rot. Bonds4

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

2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline (PubChem CID 51359839) has the molecular formula C26H21FN2O and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
PubChem CID51359839
Molecular FormulaC26H21FN2O
Molecular Weight396.47 g/mol
Exact Mass396.16
IUPAC Name2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCOc1ccc(Cc2c(-c3ccc(F)cc3)nc3c4ccccc4ccn23)c(C)c1
InChIInChI=1S/C26H21FN2O/c1-17-15-22(30-2)12-9-20(17)16-24-25(19-7-10-21(27)11-8-19)28-26-23-6-4-3-5-18(23)13-14-29(24)26/h3-15H,16H2,1-2H3
InChIKeyRYZHAJXRVCWMDX-UHFFFAOYSA-N
XLogP6.20
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline (CID 51359839) is 2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline is COc1ccc(Cc2c(-c3ccc(F)cc3)nc3c4ccccc4ccn23)c(C)c1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The InChIKey is RYZHAJXRVCWMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O/c1-17-15-22(30-2)12-9-20(17)16-24-25(19-7-10-21(27)11-8-19)28-26-23-6-4-3-5-18(23)13-14-29(24)26/h3-15H,16H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline has a molecular weight of 396.47 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).