3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one

C18H15N3O2 — CID 2865195

IUPAC3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3C2(O)c2ncc[nH]2)cc1
InChIInChI=1S/C18H15N3O2/c1-12-6-8-13(9-7-12)21-16(22)14-4-2-3-5-15(14)18(21,23)17-19-10-11-20-17/h2-11,23H,1H3,(H,19,20)
InChIKeyXAVHGLRPYKSCMF-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.57
Rot. Bonds2

About 3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one

3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one (PubChem CID 2865195) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one
PubChem CID2865195
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3C2(O)c2ncc[nH]2)cc1
InChIInChI=1S/C18H15N3O2/c1-12-6-8-13(9-7-12)21-16(22)14-4-2-3-5-15(14)18(21,23)17-19-10-11-20-17/h2-11,23H,1H3,(H,19,20)
InChIKeyXAVHGLRPYKSCMF-UHFFFAOYSA-N
XLogP2.57
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one?
The IUPAC name of 3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one (CID 2865195) is 3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one.
What is the SMILES notation for 3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one?
The canonical SMILES for 3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one is Cc1ccc(N2C(=O)c3ccccc3C2(O)c2ncc[nH]2)cc1.
What is the InChIKey of 3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one?
The InChIKey is XAVHGLRPYKSCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12-6-8-13(9-7-12)21-16(22)14-4-2-3-5-15(14)18(21,23)17-19-10-11-20-17/h2-11,23H,1H3,(H,19,20).
What are the key properties of 3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one?
3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one has a molecular weight of 305.34 g/mol, XLogP of 2.57, 2 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-(4-methylphenyl)isoindol-1-one is sourced from PubChem (CID 2865195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).