2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol

C20H27FN2O — CID 145029714

IUPAC2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol
SMILESOCC(CCCF)CCCCCC1c2ccccc2-c2cncn21
InChIInChI=1S/C20H27FN2O/c21-12-6-8-16(14-24)7-2-1-3-11-19-17-9-4-5-10-18(17)20-13-22-15-23(19)20/h4-5,9-10,13,15-16,19,24H,1-3,6-8,11-12,14H2
InChIKeyKXSRNCRPBZVCDM-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.76
Rot. Bonds10

About 2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol

2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol (PubChem CID 145029714) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol.

Molecular Properties

Compound Name2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol
PubChem CID145029714
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol
SMILESOCC(CCCF)CCCCCC1c2ccccc2-c2cncn21
InChIInChI=1S/C20H27FN2O/c21-12-6-8-16(14-24)7-2-1-3-11-19-17-9-4-5-10-18(17)20-13-22-15-23(19)20/h4-5,9-10,13,15-16,19,24H,1-3,6-8,11-12,14H2
InChIKeyKXSRNCRPBZVCDM-UHFFFAOYSA-N
XLogP4.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol
CID 129283133
cyclohexyl 4-(5H-imidazo[5,1-a]isoindol-5-yl)butanoate
CID 118690890
1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 70874445
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-5-yl)ethanol
CID 70874895
4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one
CID 118917009
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol
CID 66558971
(2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide
CID 145351978
(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
(1S)-1-(2-adamantyl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 122499160
(5R)-5-phenyl-5H-imidazo[5,1-a]isoindole
CID 137390311
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862
(1R)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405700

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol?
The IUPAC name of 2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol (CID 145029714) is 2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol.
What is the SMILES notation for 2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol?
The canonical SMILES for 2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol is OCC(CCCF)CCCCCC1c2ccccc2-c2cncn21.
What is the InChIKey of 2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol?
The InChIKey is KXSRNCRPBZVCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c21-12-6-8-16(14-24)7-2-1-3-11-19-17-9-4-5-10-18(17)20-13-22-15-23(19)20/h4-5,9-10,13,15-16,19,24H,1-3,6-8,11-12,14H2.
What are the key properties of 2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol?
2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol has a molecular weight of 330.45 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)-7-(5H-imidazo[5,1-a]isoindol-5-yl)heptan-1-ol is sourced from PubChem (CID 145029714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).