5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile

C23H24FN3O — CID 122499154

About 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile

5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile (PubChem CID 122499154) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile
• PubChem CID: 122499154
• Molecular Formula: C23H24FN3O
• Molecular Weight: 377.46 g/mol
• Exact Mass: 377.19
• IUPAC Name: 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile
• SMILES: N#CC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2
• InChI: InChI=1S/C23H24FN3O/c24-18-3-1-2-16-20-11-26-12-27(20)19(22(16)18)6-21(28)23-7-13-4-14(8-23)17(10-25)15(5-13)9-23/h1-3,11-15,17,19,21,28H,4-9H2
• InChIKey: OMFZFTHKOUTGIE-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 61.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.46
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile?

The IUPAC name of 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile (CID 122499154) is 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile.

What is the SMILES notation for 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile?

The canonical SMILES for 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile is N#CC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2.

What is the InChIKey of 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile?

The InChIKey is OMFZFTHKOUTGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-18-3-1-2-16-20-11-26-12-27(20)19(22(16)18)6-21(28)23-7-13-4-14(8-23)17(10-25)15(5-13)9-23/h1-3,11-15,17,19,21,28H,4-9H2.

What are the key properties of 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile?

5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile has a molecular weight of 377.46 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile is sourced from PubChem (CID 122499154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).