5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole

C23H17BrN2 — CID 56679981

IUPAC5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole
SMILESBrc1cccc(C2(Cc3ccccc3)c3ccccc3-c3nccn32)c1
InChIInChI=1S/C23H17BrN2/c24-19-10-6-9-18(15-19)23(16-17-7-2-1-3-8-17)21-12-5-4-11-20(21)22-25-13-14-26(22)23/h1-15H,16H2
InChIKeyLFQYXAFLCDMJKF-UHFFFAOYSA-N
MW401.31 g/mol
LogP5.66
Rot. Bonds3

About 5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole

5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole (PubChem CID 56679981) has the molecular formula C23H17BrN2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole
PubChem CID56679981
Molecular FormulaC23H17BrN2
Molecular Weight401.31 g/mol
Exact Mass400.06
IUPAC Name5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole
SMILESBrc1cccc(C2(Cc3ccccc3)c3ccccc3-c3nccn32)c1
InChIInChI=1S/C23H17BrN2/c24-19-10-6-9-18(15-19)23(16-17-7-2-1-3-8-17)21-12-5-4-11-20(21)22-25-13-14-26(22)23/h1-15H,16H2
InChIKeyLFQYXAFLCDMJKF-UHFFFAOYSA-N
XLogP5.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole?
The IUPAC name of 5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole (CID 56679981) is 5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole.
What is the SMILES notation for 5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole?
The canonical SMILES for 5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole is Brc1cccc(C2(Cc3ccccc3)c3ccccc3-c3nccn32)c1.
What is the InChIKey of 5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole?
The InChIKey is LFQYXAFLCDMJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2/c24-19-10-6-9-18(15-19)23(16-17-7-2-1-3-8-17)21-12-5-4-11-20(21)22-25-13-14-26(22)23/h1-15H,16H2.
What are the key properties of 5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole?
5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole has a molecular weight of 401.31 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole is sourced from PubChem (CID 56679981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).