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

C23H23BrN2 — CID 46205608

IUPAC5-(4-bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole
SMILESBrc1ccc(C2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C23H23BrN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h4-5,8-15,17H,1-3,6-7,16H2
InChIKeySWDXKJHVVQLTJG-UHFFFAOYSA-N
MW407.36 g/mol
LogP6.39
Rot. Bonds3

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

5-(4-bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole (PubChem CID 46205608) has the molecular formula C23H23BrN2 and a molecular weight of 407.36 g/mol. Its IUPAC name is 5-(4-bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name5-(4-bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole
PubChem CID46205608
Molecular FormulaC23H23BrN2
Molecular Weight407.36 g/mol
Exact Mass406.10
IUPAC Name5-(4-bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole
SMILESBrc1ccc(C2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C23H23BrN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h4-5,8-15,17H,1-3,6-7,16H2
InChIKeySWDXKJHVVQLTJG-UHFFFAOYSA-N
XLogP6.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.36
LogP ≤ 56.39
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-(cyclohexylmethyl)imidazo[2,1-a]isoindole?
The IUPAC name of 5-(4-bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole (CID 46205608) is 5-(4-bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole.
What is the SMILES notation for 5-(4-bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole?
The canonical SMILES for 5-(4-bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole is Brc1ccc(C2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1.
What is the InChIKey of 5-(4-bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole?
The InChIKey is SWDXKJHVVQLTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h4-5,8-15,17H,1-3,6-7,16H2.
What are the key properties of 5-(4-bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole?
5-(4-bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole has a molecular weight of 407.36 g/mol, XLogP of 6.39, 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-(cyclohexylmethyl)imidazo[2,1-a]isoindole is sourced from PubChem (CID 46205608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).