4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid

C19H21FN2O2 — CID 118916991

IUPAC4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(F)(CCC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C19H21FN2O2/c20-19(8-5-13(6-9-19)18(23)24)10-7-16-14-3-1-2-4-15(14)17-11-21-12-22(16)17/h1-4,11-13,16H,5-10H2,(H,23,24)
InChIKeyGEZYBBMATCYIQB-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.22
Rot. Bonds4

About 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid

4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid (PubChem CID 118916991) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid
PubChem CID118916991
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(F)(CCC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C19H21FN2O2/c20-19(8-5-13(6-9-19)18(23)24)10-7-16-14-3-1-2-4-15(14)17-11-21-12-22(16)17/h1-4,11-13,16H,5-10H2,(H,23,24)
InChIKeyGEZYBBMATCYIQB-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid (CID 118916991) is 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(F)(CCC2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is GEZYBBMATCYIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-19(8-5-13(6-9-19)18(23)24)10-7-16-14-3-1-2-4-15(14)17-11-21-12-22(16)17/h1-4,11-13,16H,5-10H2,(H,23,24).
What are the key properties of 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid?
4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 328.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118916991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).