5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole

C22H16BrN3 — CID 46206933

IUPAC5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole
SMILESBrc1ccc(C2(Cc3cccnc3)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C22H16BrN3/c23-18-9-7-17(8-10-18)22(14-16-4-3-11-24-15-16)20-6-2-1-5-19(20)21-25-12-13-26(21)22/h1-13,15H,14H2
InChIKeyYUWLXYWIQFMMGU-UHFFFAOYSA-N
MW402.30 g/mol
LogP5.06
Rot. Bonds3

About 5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole

5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole (PubChem CID 46206933) has the molecular formula C22H16BrN3 and a molecular weight of 402.30 g/mol. Its IUPAC name is 5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole
PubChem CID46206933
Molecular FormulaC22H16BrN3
Molecular Weight402.30 g/mol
Exact Mass401.05
IUPAC Name5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole
SMILESBrc1ccc(C2(Cc3cccnc3)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C22H16BrN3/c23-18-9-7-17(8-10-18)22(14-16-4-3-11-24-15-16)20-6-2-1-5-19(20)21-25-12-13-26(21)22/h1-13,15H,14H2
InChIKeyYUWLXYWIQFMMGU-UHFFFAOYSA-N
XLogP5.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.30
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole?
The IUPAC name of 5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole (CID 46206933) is 5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole.
What is the SMILES notation for 5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole?
The canonical SMILES for 5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole is Brc1ccc(C2(Cc3cccnc3)c3ccccc3-c3nccn32)cc1.
What is the InChIKey of 5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole?
The InChIKey is YUWLXYWIQFMMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3/c23-18-9-7-17(8-10-18)22(14-16-4-3-11-24-15-16)20-6-2-1-5-19(20)21-25-12-13-26(21)22/h1-13,15H,14H2.
What are the key properties of 5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole?
5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole has a molecular weight of 402.30 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole is sourced from PubChem (CID 46206933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).