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

C27H24N2O — CID 51359838

IUPAC3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline
SMILESCOc1ccc(Cc2c(-c3ccc(C)cc3)nc3c4ccccc4ccn23)c(C)c1
InChIInChI=1S/C27H24N2O/c1-18-8-10-21(11-9-18)26-25(17-22-12-13-23(30-3)16-19(22)2)29-15-14-20-6-4-5-7-24(20)27(29)28-26/h4-16H,17H2,1-3H3
InChIKeyLKVJJQPMYNFEHW-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.37
Rot. Bonds4

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

3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline (PubChem CID 51359838) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline
PubChem CID51359838
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline
SMILESCOc1ccc(Cc2c(-c3ccc(C)cc3)nc3c4ccccc4ccn23)c(C)c1
InChIInChI=1S/C27H24N2O/c1-18-8-10-21(11-9-18)26-25(17-22-12-13-23(30-3)16-19(22)2)29-15-14-20-6-4-5-7-24(20)27(29)28-26/h4-16H,17H2,1-3H3
InChIKeyLKVJJQPMYNFEHW-UHFFFAOYSA-N
XLogP6.37
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline (CID 51359838) is 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline is COc1ccc(Cc2c(-c3ccc(C)cc3)nc3c4ccccc4ccn23)c(C)c1.
What is the InChIKey of 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline?
The InChIKey is LKVJJQPMYNFEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-18-8-10-21(11-9-18)26-25(17-22-12-13-23(30-3)16-19(22)2)29-15-14-20-6-4-5-7-24(20)27(29)28-26/h4-16H,17H2,1-3H3.
What are the key properties of 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline?
3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline has a molecular weight of 392.50 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).