2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione

C22H29N5O2 — CID 90561293

IUPAC2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
SMILESCC(C)c1nccn1CCN1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C22H29N5O2/c1-17(2)20-23-7-8-26(20)15-13-24-9-11-25(12-10-24)14-16-27-21(28)18-5-3-4-6-19(18)22(27)29/h3-8,17H,9-16H2,1-2H3
InChIKeyQYXWKMINUGIRBR-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.92
Rot. Bonds7

About 2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 90561293) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID90561293
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
SMILESCC(C)c1nccn1CCN1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C22H29N5O2/c1-17(2)20-23-7-8-26(20)15-13-24-9-11-25(12-10-24)14-16-27-21(28)18-5-3-4-6-19(18)22(27)29/h3-8,17H,9-16H2,1-2H3
InChIKeyQYXWKMINUGIRBR-UHFFFAOYSA-N
XLogP1.92
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one
CID 82907885
1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561202
1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561429
N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide
CID 90561400
1-(3-chloro-2-methylphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561427
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 90561328
2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 90494027
N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561341
N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561231
3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 90560987
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561408
2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561106

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione (CID 90561293) is 2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione is CC(C)c1nccn1CCN1CCN(CCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is QYXWKMINUGIRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-17(2)20-23-7-8-26(20)15-13-24-9-11-25(12-10-24)14-16-27-21(28)18-5-3-4-6-19(18)22(27)29/h3-8,17H,9-16H2,1-2H3.
What are the key properties of 2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 395.51 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 90561293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).