1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol

C19H24N2O — CID 70874781

IUPAC1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol
SMILESCC(C(O)C1CCCCC1)C1c2ccccc2-c2cncn21
InChIInChI=1S/C19H24N2O/c1-13(19(22)14-7-3-2-4-8-14)18-16-10-6-5-9-15(16)17-11-20-12-21(17)18/h5-6,9-14,18-19,22H,2-4,7-8H2,1H3
InChIKeyLXUFCLWCRAGUAS-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.03
Rot. Bonds3

About 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol

1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol (PubChem CID 70874781) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol
PubChem CID70874781
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol
SMILESCC(C(O)C1CCCCC1)C1c2ccccc2-c2cncn21
InChIInChI=1S/C19H24N2O/c1-13(19(22)14-7-3-2-4-8-14)18-16-10-6-5-9-15(16)17-11-20-12-21(17)18/h5-6,9-14,18-19,22H,2-4,7-8H2,1H3
InChIKeyLXUFCLWCRAGUAS-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol?
The IUPAC name of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol (CID 70874781) is 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol.
What is the SMILES notation for 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol?
The canonical SMILES for 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol is CC(C(O)C1CCCCC1)C1c2ccccc2-c2cncn21.
What is the InChIKey of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol?
The InChIKey is LXUFCLWCRAGUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13(19(22)14-7-3-2-4-8-14)18-16-10-6-5-9-15(16)17-11-20-12-21(17)18/h5-6,9-14,18-19,22H,2-4,7-8H2,1H3.
What are the key properties of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol?
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol has a molecular weight of 296.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol is sourced from PubChem (CID 70874781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).