4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide

C30H35N3O2 — CID 163875829

About 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide

4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide (PubChem CID 163875829) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide
• PubChem CID: 163875829
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide
• SMILES: O=C(NCCc1ccccc1)C12CCC(CC1)C(C(O)CC1c3ccccc3-c3cncn31)CC2
• InChI: InChI=1S/C30H35N3O2/c34-28(18-26-24-8-4-5-9-25(24)27-19-31-20-33(26)27)23-12-16-30(14-10-22(23)11-15-30)29(35)32-17-13-21-6-2-1-3-7-21/h1-9,19-20,22-23,26,28,34H,10-18H2,(H,32,35)
• InChIKey: POTIEWXRSSGTSU-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 67.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide?

The IUPAC name of 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide (CID 163875829) is 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide.

What is the SMILES notation for 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide?

The canonical SMILES for 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide is O=C(NCCc1ccccc1)C12CCC(CC1)C(C(O)CC1c3ccccc3-c3cncn31)CC2.

What is the InChIKey of 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide?

The InChIKey is POTIEWXRSSGTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c34-28(18-26-24-8-4-5-9-25(24)27-19-31-20-33(26)27)23-12-16-30(14-10-22(23)11-15-30)29(35)32-17-13-21-6-2-1-3-7-21/h1-9,19-20,22-23,26,28,34H,10-18H2,(H,32,35).

What are the key properties of 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide?

4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide is sourced from PubChem (CID 163875829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).