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

C18H15N3O2 — CID 781996

IUPAC(3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
SMILESO=C1c2ccccc2[C@@](O)(c2ncc[nH]2)N1Cc1ccccc1
InChIInChI=1S/C18H15N3O2/c22-16-14-8-4-5-9-15(14)18(23,17-19-10-11-20-17)21(16)12-13-6-2-1-3-7-13/h1-11,23H,12H2,(H,19,20)/t18-/m1/s1
InChIKeyRBYKHLIJBPMCPK-GOSISDBHSA-N
MW305.34 g/mol
LogP2.26
Rot. Bonds3

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

(3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one (PubChem CID 781996) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is (3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one.

Molecular Properties

Compound Name(3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
PubChem CID781996
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name(3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
SMILESO=C1c2ccccc2[C@@](O)(c2ncc[nH]2)N1Cc1ccccc1
InChIInChI=1S/C18H15N3O2/c22-16-14-8-4-5-9-15(14)18(23,17-19-10-11-20-17)21(16)12-13-6-2-1-3-7-13/h1-11,23H,12H2,(H,19,20)/t18-/m1/s1
InChIKeyRBYKHLIJBPMCPK-GOSISDBHSA-N
XLogP2.26
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one
CID 67044627
(3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one
CID 781985
(3S)-3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one
CID 781988
6-benzyl-7-hydroxy-7-phenylpyrrolo[3,4-b]pyridin-5-one
CID 14140488
benzyl-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamic acid
CID 67044537
3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one
CID 175279985
3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one
CID 572155
3-hydroxy-2-[(4-nitrophenyl)methyl]-3-phenylisoindol-1-one
CID 51349702
(3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one
CID 869361
(3S)-3-benzyl-3-hydroxy-2-(pyridin-3-ylmethyl)isoindol-1-one
CID 723286
2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione
CID 46210542
1-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 11554007

Frequently Asked Questions

What is the IUPAC name of (3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one?
The IUPAC name of (3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one (CID 781996) is (3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one.
What is the SMILES notation for (3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one?
The canonical SMILES for (3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one is O=C1c2ccccc2[C@@](O)(c2ncc[nH]2)N1Cc1ccccc1.
What is the InChIKey of (3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one?
The InChIKey is RBYKHLIJBPMCPK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-16-14-8-4-5-9-15(14)18(23,17-19-10-11-20-17)21(16)12-13-6-2-1-3-7-13/h1-11,23H,12H2,(H,19,20)/t18-/m1/s1.
What are the key properties of (3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one?
(3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one has a molecular weight of 305.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one is sourced from PubChem (CID 781996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).