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

C17H19N3O2 — CID 607941

IUPAC2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ncc[nH]2)N1C1CCCCC1
InChIInChI=1S/C17H19N3O2/c21-15-13-8-4-5-9-14(13)17(22,16-18-10-11-19-16)20(15)12-6-2-1-3-7-12/h4-5,8-12,22H,1-3,6-7H2,(H,18,19)
InChIKeyCOGUKXJFEVLMOP-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.39
Rot. Bonds2

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

2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one (PubChem CID 607941) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one.

Molecular Properties

Compound Name2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
PubChem CID607941
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ncc[nH]2)N1C1CCCCC1
InChIInChI=1S/C17H19N3O2/c21-15-13-8-4-5-9-14(13)17(22,16-18-10-11-19-16)20(15)12-6-2-1-3-7-12/h4-5,8-12,22H,1-3,6-7H2,(H,18,19)
InChIKeyCOGUKXJFEVLMOP-UHFFFAOYSA-N
XLogP2.39
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-3-(1H-imidazol-2-yl)-2-phenethyl-2,3-dihydro-isoindol-1-one
CID 2865571
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
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 2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one?
The IUPAC name of 2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one (CID 607941) is 2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one.
What is the SMILES notation for 2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one?
The canonical SMILES for 2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one is O=C1c2ccccc2C(O)(c2ncc[nH]2)N1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one?
The InChIKey is COGUKXJFEVLMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-15-13-8-4-5-9-14(13)17(22,16-18-10-11-19-16)20(15)12-6-2-1-3-7-12/h4-5,8-12,22H,1-3,6-7H2,(H,18,19).
What are the key properties of 2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one?
2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one has a molecular weight of 297.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one is sourced from PubChem (CID 607941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).