1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole

C18H13BrN2 — CID 173480311

IUPAC1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole
SMILESBrc1ccccc1C=Cc1ncn2c1-c1ccccc1C2
InChIInChI=1S/C18H13BrN2/c19-16-8-4-2-5-13(16)9-10-17-18-15-7-3-1-6-14(15)11-21(18)12-20-17/h1-10,12H,11H2
InChIKeyOXLKWEOTKXCLEE-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.84
Rot. Bonds2

About 1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole

1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole (PubChem CID 173480311) has the molecular formula C18H13BrN2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole
PubChem CID173480311
Molecular FormulaC18H13BrN2
Molecular Weight337.22 g/mol
Exact Mass336.03
IUPAC Name1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole
SMILESBrc1ccccc1C=Cc1ncn2c1-c1ccccc1C2
InChIInChI=1S/C18H13BrN2/c19-16-8-4-2-5-13(16)9-10-17-18-15-7-3-1-6-14(15)11-21(18)12-20-17/h1-10,12H,11H2
InChIKeyOXLKWEOTKXCLEE-UHFFFAOYSA-N
XLogP4.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole (CID 173480311) is 1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole is Brc1ccccc1C=Cc1ncn2c1-c1ccccc1C2.
What is the InChIKey of 1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole?
The InChIKey is OXLKWEOTKXCLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2/c19-16-8-4-2-5-13(16)9-10-17-18-15-7-3-1-6-14(15)11-21(18)12-20-17/h1-10,12H,11H2.
What are the key properties of 1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole?
1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole has a molecular weight of 337.22 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethenyl]-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 173480311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).