3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one

C19H17N3O2 — CID 2865571

IUPAC3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ncc[nH]2)N1CCc1ccccc1
InChIInChI=1S/C19H17N3O2/c23-17-15-8-4-5-9-16(15)19(24,18-20-11-12-21-18)22(17)13-10-14-6-2-1-3-7-14/h1-9,11-12,24H,10,13H2,(H,20,21)
InChIKeyZWICHEWDJOXYAC-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.30
Rot. Bonds4

About 3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one

3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one (PubChem CID 2865571) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one
PubChem CID2865571
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ncc[nH]2)N1CCc1ccccc1
InChIInChI=1S/C19H17N3O2/c23-17-15-8-4-5-9-16(15)19(24,18-20-11-12-21-18)22(17)13-10-14-6-2-1-3-7-14/h1-9,11-12,24H,10,13H2,(H,20,21)
InChIKeyZWICHEWDJOXYAC-UHFFFAOYSA-N
XLogP2.30
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-1,2-dihydro-3H-benzo[e]isoindol-3-one
CID 9861918
7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-2-methyl-1,2-dihydro-3H-benzo[e]isoindol-3-one
CID 12074093
rac-6-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-2,3-dihydro-1H-benzo[f]isoindol-1-one
CID 12074102
rac-6-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-2-methyl-2,3-dihydro-1H-benzo[f]isoindol-1-one
CID 12074103
2-(1H-Imidazol-2-yl)benzoic acid
CID 16767379
Isoindolinone scaffold, 22
CID 16090438
2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-3-(1H-imidazol-2-yl)-1-isoindolinone
CID 2865452
(-)-(S)-7-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl)-2-methyl-1H-benzo[e]isoindol-3(2H)-one
CID 50994740
(+)-(R)-7-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl)-2-methyl-1H-benzo[e]isoindol-3(2H)-one
CID 53323744
2-Cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)-1-isoindolinone
CID 607941
3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one
CID 2865195
2-(4-Imidazol-1-ylbutylcarbamoyl)benzoic acid
CID 44366234

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one?
The IUPAC name of 3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one (CID 2865571) is 3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one.
What is the SMILES notation for 3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one?
The canonical SMILES for 3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one is O=C1c2ccccc2C(O)(c2ncc[nH]2)N1CCc1ccccc1.
What is the InChIKey of 3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one?
The InChIKey is ZWICHEWDJOXYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-17-15-8-4-5-9-16(15)19(24,18-20-11-12-21-18)22(17)13-10-14-6-2-1-3-7-14/h1-9,11-12,24H,10,13H2,(H,20,21).
What are the key properties of 3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one?
3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one has a molecular weight of 319.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(1H-imidazol-2-yl)-2-(2-phenylethyl)isoindol-1-one is sourced from PubChem (CID 2865571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).