[4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol

C17H13FN2O — CID 137390216

IUPAC[4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol
SMILESOCc1ccc(F)c(C2c3ccccc3-c3cncn32)c1
InChIInChI=1S/C17H13FN2O/c18-15-6-5-11(9-21)7-14(15)17-13-4-2-1-3-12(13)16-8-19-10-20(16)17/h1-8,10,17,21H,9H2
InChIKeyNYDRAUITVGYPPF-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.13
Rot. Bonds2

About [4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol

[4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol (PubChem CID 137390216) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is [4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol
PubChem CID137390216
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name[4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol
SMILESOCc1ccc(F)c(C2c3ccccc3-c3cncn32)c1
InChIInChI=1S/C17H13FN2O/c18-15-6-5-11(9-21)7-14(15)17-13-4-2-1-3-12(13)16-8-19-10-20(16)17/h1-8,10,17,21H,9H2
InChIKeyNYDRAUITVGYPPF-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-phenyl-5H-imidazo[5,1-a]isoindole
CID 137390311
(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol
CID 129283133
5-pyrazolo[1,5-a]pyridin-5-yl-5H-imidazo[5,1-a]isoindole
CID 137390290
(1R)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol;(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol;(1R)-1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol;(1S)-1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol
CID 157478620
(1R)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405700
(1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405860
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol
CID 145029714
trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol
CID 129283103
1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 175796578
1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol
CID 129282746
1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol
CID 157485261

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol?
The IUPAC name of [4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol (CID 137390216) is [4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol.
What is the SMILES notation for [4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol?
The canonical SMILES for [4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol is OCc1ccc(F)c(C2c3ccccc3-c3cncn32)c1.
What is the InChIKey of [4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol?
The InChIKey is NYDRAUITVGYPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-15-6-5-11(9-21)7-14(15)17-13-4-2-1-3-12(13)16-8-19-10-20(16)17/h1-8,10,17,21H,9H2.
What are the key properties of [4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol?
[4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol has a molecular weight of 280.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(5H-imidazo[5,1-a]isoindol-5-yl)phenyl]methanol is sourced from PubChem (CID 137390216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).