2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide

C23H24BrN3O — CID 58415510

IUPAC2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C23H24BrN3O/c1-4-22(2,3)26-20(28)15-23(16-9-11-17(24)12-10-16)19-8-6-5-7-18(19)21-25-13-14-27(21)23/h5-14H,4,15H2,1-3H3,(H,26,28)
InChIKeyXJOIGHWBYRQKBI-UHFFFAOYSA-N
MW438.37 g/mol
LogP5.11
Rot. Bonds5

About 2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide

2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 58415510) has the molecular formula C23H24BrN3O and a molecular weight of 438.37 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID58415510
Molecular FormulaC23H24BrN3O
Molecular Weight438.37 g/mol
Exact Mass437.11
IUPAC Name2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C23H24BrN3O/c1-4-22(2,3)26-20(28)15-23(16-9-11-17(24)12-10-16)19-8-6-5-7-18(19)21-25-13-14-27(21)23/h5-14H,4,15H2,1-3H3,(H,26,28)
InChIKeyXJOIGHWBYRQKBI-UHFFFAOYSA-N
XLogP5.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide (CID 58415510) is 2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21.
What is the InChIKey of 2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is XJOIGHWBYRQKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O/c1-4-22(2,3)26-20(28)15-23(16-9-11-17(24)12-10-16)19-8-6-5-7-18(19)21-25-13-14-27(21)23/h5-14H,4,15H2,1-3H3,(H,26,28).
What are the key properties of 2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 438.37 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 58415510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).