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

C23H24FN3O — CID 122499154

IUPAC5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile
SMILESN#CC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2
InChIInChI=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
InChIKeyOMFZFTHKOUTGIE-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.31
Rot. Bonds3

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 Name5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile
PubChem CID122499154
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantane-2-carbonitrile
SMILESN#CC1C2CC3CC1CC(C(O)CC1c4c(F)cccc4-c4cncn41)(C3)C2
InChIInChI=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
InChIKeyOMFZFTHKOUTGIE-UHFFFAOYSA-N
XLogP4.31
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).