2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol

C16H17FN2O — CID 129282641

IUPAC2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol
SMILESOC1CCCCC1C1c2ccc(F)cc2-c2cncn21
InChIInChI=1S/C16H17FN2O/c17-10-5-6-11-13(7-10)14-8-18-9-19(14)16(11)12-3-1-2-4-15(12)20/h5-9,12,15-16,20H,1-4H2
InChIKeyHCSSHZJNTHXWER-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.14
Rot. Bonds1

About 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol

2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol (PubChem CID 129282641) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol
PubChem CID129282641
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol
SMILESOC1CCCCC1C1c2ccc(F)cc2-c2cncn21
InChIInChI=1S/C16H17FN2O/c17-10-5-6-11-13(7-10)14-8-18-9-19(14)16(11)12-3-1-2-4-15(12)20/h5-9,12,15-16,20H,1-4H2
InChIKeyHCSSHZJNTHXWER-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol
CID 137405934
trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cycloheptan-1-ol
CID 129282542
(7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol
CID 137405900
(2S,3S)-2-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-7-oxaspiro[3.5]nonan-3-ol
CID 129296931
5-[1-(azetidin-1-ylsulfonyl)piperidin-4-yl]-8-fluoro-5H-imidazo[5,1-a]isoindole
CID 137374431
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol;4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidin-3-ol
CID 158929484
(1S)-2-[(7R)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraen-7-yl]cyclohexan-1-ol
CID 130360287
3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidine-4-carboxylic acid
CID 175231336
cis-(1S,2S)-2-[(7R)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraen-7-yl]cyclopentan-1-ol
CID 130360648
8-fluoro-5-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 148872302
(1R)-1-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-2-methylpropan-1-ol
CID 129282693

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol?
The IUPAC name of 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol (CID 129282641) is 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol is OC1CCCCC1C1c2ccc(F)cc2-c2cncn21.
What is the InChIKey of 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol?
The InChIKey is HCSSHZJNTHXWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-10-5-6-11-13(7-10)14-8-18-9-19(14)16(11)12-3-1-2-4-15(12)20/h5-9,12,15-16,20H,1-4H2.
What are the key properties of 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol?
2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol has a molecular weight of 272.32 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 129282641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).