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

C18H14N2O — CID 66558380

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)c1ccccc1
InChIInChI=1S/C18H14N2O/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/h1-9,11-12,16H,10H2
InChIKeyBSQKZSZVOHIWGA-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.73
Rot. Bonds3

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

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone (PubChem CID 66558380) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone
PubChem CID66558380
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)c1ccccc1
InChIInChI=1S/C18H14N2O/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/h1-9,11-12,16H,10H2
InChIKeyBSQKZSZVOHIWGA-UHFFFAOYSA-N
XLogP3.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
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-phenylethanone?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone (CID 66558380) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone is O=C(CC1c2ccccc2-c2cncn21)c1ccccc1.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone?
The InChIKey is BSQKZSZVOHIWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/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/h1-9,11-12,16H,10H2.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone has a molecular weight of 274.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 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-phenylethanone is sourced from PubChem (CID 66558380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).