1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol

C19H24N2O2 — CID 66558375

IUPAC1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESCOc1cccc2c1-c1cncn1C2CC(O)C1CCCCC1
InChIInChI=1S/C19H24N2O2/c1-23-18-9-5-8-14-15(21-12-20-11-16(21)19(14)18)10-17(22)13-6-3-2-4-7-13/h5,8-9,11-13,15,17,22H,2-4,6-7,10H2,1H3
InChIKeyIKPLNLUUWHVZPW-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.79
Rot. Bonds4

About 1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol

1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 66558375) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID66558375
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESCOc1cccc2c1-c1cncn1C2CC(O)C1CCCCC1
InChIInChI=1S/C19H24N2O2/c1-23-18-9-5-8-14-15(21-12-20-11-16(21)19(14)18)10-17(22)13-6-3-2-4-7-13/h5,8-9,11-13,15,17,22H,2-4,6-7,10H2,1H3
InChIKeyIKPLNLUUWHVZPW-UHFFFAOYSA-N
XLogP3.79
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of 1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 66558375) is 1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for 1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for 1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol is COc1cccc2c1-c1cncn1C2CC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is IKPLNLUUWHVZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-23-18-9-5-8-14-15(21-12-20-11-16(21)19(14)18)10-17(22)13-6-3-2-4-7-13/h5,8-9,11-13,15,17,22H,2-4,6-7,10H2,1H3.
What are the key properties of 1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 312.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 66558375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).