2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol

C18H16N2O — CID 70874868

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol
SMILESOC(CC1c2ccccc2-c2cncn21)c1ccccc1
InChIInChI=1S/C18H16N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h1-9,11-12,16,18,21H,10H2
InChIKeyNVAQHNXPNVUNHA-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.58
Rot. Bonds3

About 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol (PubChem CID 70874868) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol
PubChem CID70874868
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol
SMILESOC(CC1c2ccccc2-c2cncn21)c1ccccc1
InChIInChI=1S/C18H16N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h1-9,11-12,16,18,21H,10H2
InChIKeyNVAQHNXPNVUNHA-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol (CID 70874868) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol is OC(CC1c2ccccc2-c2cncn21)c1ccccc1.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol?
The InChIKey is NVAQHNXPNVUNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h1-9,11-12,16,18,21H,10H2.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol has a molecular weight of 276.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol is sourced from PubChem (CID 70874868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).