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

C17H19N3O2 — CID 869245

IUPAC(3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
SMILESO=C1c2ccccc2[C@@](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)/t17-/m1/s1
InChIKeyCOGUKXJFEVLMOP-QGZVFWFLSA-N
MW297.36 g/mol
LogP2.39
Rot. Bonds2

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

(3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one (PubChem CID 869245) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one.

Molecular Properties

Compound Name(3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
PubChem CID869245
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
SMILESO=C1c2ccccc2[C@@](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)/t17-/m1/s1
InChIKeyCOGUKXJFEVLMOP-QGZVFWFLSA-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

(3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
CID 781996
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CID 781985
(3S)-3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one
CID 781988
3-hydroxy-2-(4-methylcyclohexyl)-3-phenylisoindol-1-one
CID 5305502
(5aS,9aR)-4b-hydroxy-5a,6,7,8,9,9a-hexahydro-5H-isoindolo[2,1-a]benzimidazol-11-one
CID 134863738
(3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one
CID 869361
(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 704651
6-(1-hydroxy-3-oxo-2-piperidin-4-ylisoindol-1-yl)-4H-1,4-benzoxazin-3-one
CID 67045141
2-cyclohexyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 67910035
2-cyclodecylisoindole-1,3-dione
CID 123786237
(3R)-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92667984
(3R)-N-cyclohexyl-2-cyclopentyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
CID 92668090

Frequently Asked Questions

What is the IUPAC name of (3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one?
The IUPAC name of (3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one (CID 869245) is (3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one.
What is the SMILES notation for (3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one?
The canonical SMILES for (3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one is O=C1c2ccccc2[C@@](O)(c2ncc[nH]2)N1C1CCCCC1.
What is the InChIKey of (3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one?
The InChIKey is COGUKXJFEVLMOP-QGZVFWFLSA-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)/t17-/m1/s1.
What are the key properties of (3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one?
(3R)-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 (3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one is sourced from PubChem (CID 869245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).