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

C18H20F2N2O — CID 70874544

IUPAC1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)C1CCC(F)(F)CC1
InChIInChI=1S/C18H20F2N2O/c19-18(20)7-5-12(6-8-18)17(23)9-15-13-3-1-2-4-14(13)16-10-21-11-22(15)16/h1-4,10-12,15,17,23H,5-9H2
InChIKeyBBYFCKZHLMMOBN-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.03
Rot. Bonds3

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

1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 70874544) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID70874544
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)C1CCC(F)(F)CC1
InChIInChI=1S/C18H20F2N2O/c19-18(20)7-5-12(6-8-18)17(23)9-15-13-3-1-2-4-14(13)16-10-21-11-22(15)16/h1-4,10-12,15,17,23H,5-9H2
InChIKeyBBYFCKZHLMMOBN-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 70874544) is 1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is OC(CC1c2ccccc2-c2cncn21)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is BBYFCKZHLMMOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c19-18(20)7-5-12(6-8-18)17(23)9-15-13-3-1-2-4-14(13)16-10-21-11-22(15)16/h1-4,10-12,15,17,23H,5-9H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 318.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 70874544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).