5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide

C25H31N3O2 — CID 145402295

IUPAC5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide
SMILESCC(C)NC(=O)C12CCCC(C(=O)CC3c4ccccc4-c4cncn43)(CC1)CC2
InChIInChI=1S/C25H31N3O2/c1-17(2)27-23(30)25-9-5-8-24(10-12-25,11-13-25)22(29)14-20-18-6-3-4-7-19(18)21-15-26-16-28(20)21/h3-4,6-7,15-17,20H,5,8-14H2,1-2H3,(H,27,30)
InChIKeyQZMBWIDXEKDVKO-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.67
Rot. Bonds5

About 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide

5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide (PubChem CID 145402295) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide.

Molecular Properties

Compound Name5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide
PubChem CID145402295
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide
SMILESCC(C)NC(=O)C12CCCC(C(=O)CC3c4ccccc4-c4cncn43)(CC1)CC2
InChIInChI=1S/C25H31N3O2/c1-17(2)27-23(30)25-9-5-8-24(10-12-25,11-13-25)22(29)14-20-18-6-3-4-7-19(18)21-15-26-16-28(20)21/h3-4,6-7,15-17,20H,5,8-14H2,1-2H3,(H,27,30)
InChIKeyQZMBWIDXEKDVKO-UHFFFAOYSA-N
XLogP4.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide?
The IUPAC name of 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide (CID 145402295) is 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide.
What is the SMILES notation for 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide?
The canonical SMILES for 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide is CC(C)NC(=O)C12CCCC(C(=O)CC3c4ccccc4-c4cncn43)(CC1)CC2.
What is the InChIKey of 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide?
The InChIKey is QZMBWIDXEKDVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-17(2)27-23(30)25-9-5-8-24(10-12-25,11-13-25)22(29)14-20-18-6-3-4-7-19(18)21-15-26-16-28(20)21/h3-4,6-7,15-17,20H,5,8-14H2,1-2H3,(H,27,30).
What are the key properties of 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide?
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide is sourced from PubChem (CID 145402295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).