1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol

C17H20N2O — CID 129282639

IUPAC1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol
SMILESOC1(C2c3ccccc3-c3cncn32)CCCCCC1
InChIInChI=1S/C17H20N2O/c20-17(9-5-1-2-6-10-17)16-14-8-4-3-7-13(14)15-11-18-12-19(15)16/h3-4,7-8,11-12,16,20H,1-2,5-6,9-10H2
InChIKeyFZUSHLQPFBAOGJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.54
Rot. Bonds1

About 1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol

1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol (PubChem CID 129282639) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol
PubChem CID129282639
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol
SMILESOC1(C2c3ccccc3-c3cncn32)CCCCCC1
InChIInChI=1S/C17H20N2O/c20-17(9-5-1-2-6-10-17)16-14-8-4-3-7-13(14)15-11-18-12-19(15)16/h3-4,7-8,11-12,16,20H,1-2,5-6,9-10H2
InChIKeyFZUSHLQPFBAOGJ-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol?
The IUPAC name of 1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol (CID 129282639) is 1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol.
What is the SMILES notation for 1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol?
The canonical SMILES for 1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol is OC1(C2c3ccccc3-c3cncn32)CCCCCC1.
What is the InChIKey of 1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol?
The InChIKey is FZUSHLQPFBAOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(9-5-1-2-6-10-17)16-14-8-4-3-7-13(14)15-11-18-12-19(15)16/h3-4,7-8,11-12,16,20H,1-2,5-6,9-10H2.
What are the key properties of 1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol?
1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol is sourced from PubChem (CID 129282639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).