2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol

C19H21FN2O — CID 89052946

IUPAC2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol
SMILESC=C1CCC(C(O)CC2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C19H21FN2O/c1-12-5-7-13(8-6-12)18(23)9-16-19-14(3-2-4-15(19)20)17-10-21-11-22(16)17/h2-4,10-11,13,16,18,23H,1,5-9H2
InChIKeyKBIQFEDIQLEELY-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.09
Rot. Bonds3

About 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol

2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol (PubChem CID 89052946) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol.

Molecular Properties

Compound Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol
PubChem CID89052946
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol
SMILESC=C1CCC(C(O)CC2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C19H21FN2O/c1-12-5-7-13(8-6-12)18(23)9-16-19-14(3-2-4-15(19)20)17-10-21-11-22(16)17/h2-4,10-11,13,16,18,23H,1,5-9H2
InChIKeyKBIQFEDIQLEELY-UHFFFAOYSA-N
XLogP4.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol?
The IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol (CID 89052946) is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol.
What is the SMILES notation for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol?
The canonical SMILES for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol is C=C1CCC(C(O)CC2c3c(F)cccc3-c3cncn32)CC1.
What is the InChIKey of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol?
The InChIKey is KBIQFEDIQLEELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-12-5-7-13(8-6-12)18(23)9-16-19-14(3-2-4-15(19)20)17-10-21-11-22(16)17/h2-4,10-11,13,16,18,23H,1,5-9H2.
What are the key properties of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol?
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol has a molecular weight of 312.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methylidenecyclohexyl)ethanol is sourced from PubChem (CID 89052946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).