5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole

C22H21BrN2 — CID 46205607

IUPAC5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole
SMILESBrc1ccc(C2(CC3CCCC3)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C22H21BrN2/c23-18-11-9-17(10-12-18)22(15-16-5-1-2-6-16)20-8-4-3-7-19(20)21-24-13-14-25(21)22/h3-4,7-14,16H,1-2,5-6,15H2
InChIKeyOOWKLQUZUCQUED-UHFFFAOYSA-N
MW393.33 g/mol
LogP6.00
Rot. Bonds3

About 5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole

5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole (PubChem CID 46205607) has the molecular formula C22H21BrN2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole
PubChem CID46205607
Molecular FormulaC22H21BrN2
Molecular Weight393.33 g/mol
Exact Mass392.09
IUPAC Name5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole
SMILESBrc1ccc(C2(CC3CCCC3)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C22H21BrN2/c23-18-11-9-17(10-12-18)22(15-16-5-1-2-6-16)20-8-4-3-7-19(20)21-24-13-14-25(21)22/h3-4,7-14,16H,1-2,5-6,15H2
InChIKeyOOWKLQUZUCQUED-UHFFFAOYSA-N
XLogP6.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.33
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole?
The IUPAC name of 5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole (CID 46205607) is 5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole.
What is the SMILES notation for 5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole?
The canonical SMILES for 5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole is Brc1ccc(C2(CC3CCCC3)c3ccccc3-c3nccn32)cc1.
What is the InChIKey of 5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole?
The InChIKey is OOWKLQUZUCQUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2/c23-18-11-9-17(10-12-18)22(15-16-5-1-2-6-16)20-8-4-3-7-19(20)21-24-13-14-25(21)22/h3-4,7-14,16H,1-2,5-6,15H2.
What are the key properties of 5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole?
5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole has a molecular weight of 393.33 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole is sourced from PubChem (CID 46205607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).