(2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one

C26H18FN3O2 — CID 101164052

IUPAC(2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one
SMILESO=C1/C(=C/c2ccccc2F)N=C2C(Cc3ccccc3)=NC(c3ccc(O)cc3)=CN12
InChIInChI=1S/C26H18FN3O2/c27-21-9-5-4-8-19(21)15-23-26(32)30-16-24(18-10-12-20(31)13-11-18)28-22(25(30)29-23)14-17-6-2-1-3-7-17/h1-13,15-16,31H,14H2/b23-15-
InChIKeyXGLFGCIJNDZTGK-HAHDFKILSA-N
MW423.45 g/mol
LogP4.81
Rot. Bonds4

About (2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one

(2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one (PubChem CID 101164052) has the molecular formula C26H18FN3O2 and a molecular weight of 423.45 g/mol. Its IUPAC name is (2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one.

Molecular Properties

Compound Name(2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one
PubChem CID101164052
Molecular FormulaC26H18FN3O2
Molecular Weight423.45 g/mol
Exact Mass423.14
IUPAC Name(2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one
SMILESO=C1/C(=C/c2ccccc2F)N=C2C(Cc3ccccc3)=NC(c3ccc(O)cc3)=CN12
InChIInChI=1S/C26H18FN3O2/c27-21-9-5-4-8-19(21)15-23-26(32)30-16-24(18-10-12-20(31)13-11-18)28-22(25(30)29-23)14-17-6-2-1-3-7-17/h1-13,15-16,31H,14H2/b23-15-
InChIKeyXGLFGCIJNDZTGK-HAHDFKILSA-N
XLogP4.81
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one?
The IUPAC name of (2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one (CID 101164052) is (2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one.
What is the SMILES notation for (2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one?
The canonical SMILES for (2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one is O=C1/C(=C/c2ccccc2F)N=C2C(Cc3ccccc3)=NC(c3ccc(O)cc3)=CN12.
What is the InChIKey of (2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one?
The InChIKey is XGLFGCIJNDZTGK-HAHDFKILSA-N. The full InChI is InChI=1S/C26H18FN3O2/c27-21-9-5-4-8-19(21)15-23-26(32)30-16-24(18-10-12-20(31)13-11-18)28-22(25(30)29-23)14-17-6-2-1-3-7-17/h1-13,15-16,31H,14H2/b23-15-.
What are the key properties of (2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one?
(2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one has a molecular weight of 423.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-8-benzyl-2-[(2-fluorophenyl)methylidene]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one is sourced from PubChem (CID 101164052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).