1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol

C19H24N2O — CID 70874941

IUPAC1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol
SMILESOC(CC1CCCCC1)CC1c2ccccc2-c2cncn21
InChIInChI=1S/C19H24N2O/c22-15(10-14-6-2-1-3-7-14)11-18-16-8-4-5-9-17(16)19-12-20-13-21(18)19/h4-5,8-9,12-15,18,22H,1-3,6-7,10-11H2
InChIKeyVXLCRYSJAYJVGS-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.17
Rot. Bonds4

About 1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol

1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol (PubChem CID 70874941) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol
PubChem CID70874941
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol
SMILESOC(CC1CCCCC1)CC1c2ccccc2-c2cncn21
InChIInChI=1S/C19H24N2O/c22-15(10-14-6-2-1-3-7-14)11-18-16-8-4-5-9-17(16)19-12-20-13-21(18)19/h4-5,8-9,12-15,18,22H,1-3,6-7,10-11H2
InChIKeyVXLCRYSJAYJVGS-UHFFFAOYSA-N
XLogP4.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol?
The IUPAC name of 1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol (CID 70874941) is 1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol.
What is the SMILES notation for 1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol?
The canonical SMILES for 1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol is OC(CC1CCCCC1)CC1c2ccccc2-c2cncn21.
What is the InChIKey of 1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol?
The InChIKey is VXLCRYSJAYJVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c22-15(10-14-6-2-1-3-7-14)11-18-16-8-4-5-9-17(16)19-12-20-13-21(18)19/h4-5,8-9,12-15,18,22H,1-3,6-7,10-11H2.
What are the key properties of 1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol?
1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol is sourced from PubChem (CID 70874941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).