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

C26H22N2 — CID 46902778

IUPAC2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCc1ccc(Cc2c(-c3ccc(C)cc3)nc3c4ccccc4ccn23)cc1
InChIInChI=1S/C26H22N2/c1-18-7-11-20(12-8-18)17-24-25(22-13-9-19(2)10-14-22)27-26-23-6-4-3-5-21(23)15-16-28(24)26/h3-16H,17H2,1-2H3
InChIKeyWFCMDNROYIELCC-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.36
Rot. Bonds3

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

2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline (PubChem CID 46902778) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
PubChem CID46902778
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
SMILESCc1ccc(Cc2c(-c3ccc(C)cc3)nc3c4ccccc4ccn23)cc1
InChIInChI=1S/C26H22N2/c1-18-7-11-20(12-8-18)17-24-25(22-13-9-19(2)10-14-22)27-26-23-6-4-3-5-21(23)15-16-28(24)26/h3-16H,17H2,1-2H3
InChIKeyWFCMDNROYIELCC-UHFFFAOYSA-N
XLogP6.36
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The IUPAC name of 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline (CID 46902778) is 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline is Cc1ccc(Cc2c(-c3ccc(C)cc3)nc3c4ccccc4ccn23)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
The InChIKey is WFCMDNROYIELCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-18-7-11-20(12-8-18)17-24-25(22-13-9-19(2)10-14-22)27-26-23-6-4-3-5-21(23)15-16-28(24)26/h3-16H,17H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline?
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline has a molecular weight of 362.48 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 46902778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).