5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole

C24H20N2 — CID 46206934

IUPAC5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole
SMILESCc1ccc(C2(Cc3ccccc3)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C24H20N2/c1-18-11-13-20(14-12-18)24(17-19-7-3-2-4-8-19)22-10-6-5-9-21(22)23-25-15-16-26(23)24/h2-16H,17H2,1H3
InChIKeyWQURFRHDPQQANU-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.21
Rot. Bonds3

About 5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole

5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole (PubChem CID 46206934) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole
PubChem CID46206934
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole
SMILESCc1ccc(C2(Cc3ccccc3)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C24H20N2/c1-18-11-13-20(14-12-18)24(17-19-7-3-2-4-8-19)22-10-6-5-9-21(22)23-25-15-16-26(23)24/h2-16H,17H2,1H3
InChIKeyWQURFRHDPQQANU-UHFFFAOYSA-N
XLogP5.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole?
The IUPAC name of 5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole (CID 46206934) is 5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole.
What is the SMILES notation for 5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole?
The canonical SMILES for 5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole is Cc1ccc(C2(Cc3ccccc3)c3ccccc3-c3nccn32)cc1.
What is the InChIKey of 5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole?
The InChIKey is WQURFRHDPQQANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-18-11-13-20(14-12-18)24(17-19-7-3-2-4-8-19)22-10-6-5-9-21(22)23-25-15-16-26(23)24/h2-16H,17H2,1H3.
What are the key properties of 5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole?
5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole has a molecular weight of 336.44 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole is sourced from PubChem (CID 46206934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).