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

C15H14N4O — CID 66558971

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)c1ncc[nH]1
InChIInChI=1S/C15H14N4O/c20-14(15-17-5-6-18-15)7-12-10-3-1-2-4-11(10)13-8-16-9-19(12)13/h1-6,8-9,12,14,20H,7H2,(H,17,18)
InChIKeyDLWAENXUQXYBMY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.30
Rot. Bonds3

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

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol (PubChem CID 66558971) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol
PubChem CID66558971
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)c1ncc[nH]1
InChIInChI=1S/C15H14N4O/c20-14(15-17-5-6-18-15)7-12-10-3-1-2-4-11(10)13-8-16-9-19(12)13/h1-6,8-9,12,14,20H,7H2,(H,17,18)
InChIKeyDLWAENXUQXYBMY-UHFFFAOYSA-N
XLogP2.30
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-5-yl)ethanol
CID 70874895
(1S)-1-(2-adamantyl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 122499160
1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 70874445
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 142300346
1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol
CID 137405996
1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 134339527
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862
(1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 141349404
(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethane-1,2-diol
CID 129283133
ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene
CID 145169302
(1S)-1-[1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidin-4-yl]-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 135228938
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol
CID 134339562

Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol (CID 66558971) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol is OC(CC1c2ccccc2-c2cncn21)c1ncc[nH]1.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol?
The InChIKey is DLWAENXUQXYBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-14(15-17-5-6-18-15)7-12-10-3-1-2-4-11(10)13-8-16-9-19(12)13/h1-6,8-9,12,14,20H,7H2,(H,17,18).
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol has a molecular weight of 266.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 66558971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).