2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one

C16H11BrFN3O2 — CID 67457293

IUPAC2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one
SMILESCN1C(=O)C2(N=C1N)c1ccccc1Oc1cc(F)c(Br)cc12
InChIInChI=1S/C16H11BrFN3O2/c1-21-14(22)16(20-15(21)19)8-4-2-3-5-12(8)23-13-7-11(18)10(17)6-9(13)16/h2-7H,1H3,(H2,19,20)
InChIKeyXPMDGCZPHQGKJV-UHFFFAOYSA-N
MW376.19 g/mol
LogP2.72
Rot. Bonds

About 2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one

2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one (PubChem CID 67457293) has the molecular formula C16H11BrFN3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is 2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one.

Molecular Properties

Compound Name2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one
PubChem CID67457293
Molecular FormulaC16H11BrFN3O2
Molecular Weight376.19 g/mol
Exact Mass375.00
IUPAC Name2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one
SMILESCN1C(=O)C2(N=C1N)c1ccccc1Oc1cc(F)c(Br)cc12
InChIInChI=1S/C16H11BrFN3O2/c1-21-14(22)16(20-15(21)19)8-4-2-3-5-12(8)23-13-7-11(18)10(17)6-9(13)16/h2-7H,1H3,(H2,19,20)
InChIKeyXPMDGCZPHQGKJV-UHFFFAOYSA-N
XLogP2.72
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one?
The IUPAC name of 2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one (CID 67457293) is 2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one.
What is the SMILES notation for 2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one?
The canonical SMILES for 2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one is CN1C(=O)C2(N=C1N)c1ccccc1Oc1cc(F)c(Br)cc12.
What is the InChIKey of 2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one?
The InChIKey is XPMDGCZPHQGKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2/c1-21-14(22)16(20-15(21)19)8-4-2-3-5-12(8)23-13-7-11(18)10(17)6-9(13)16/h2-7H,1H3,(H2,19,20).
What are the key properties of 2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one?
2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one has a molecular weight of 376.19 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one is sourced from PubChem (CID 67457293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).