2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one

C16H12BrN3O3 — CID 67459681

IUPAC2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one
SMILESCN1C(=O)C2(N=C1N)c1cc(O)ccc1Oc1ccc(Br)cc12
InChIInChI=1S/C16H12BrN3O3/c1-20-14(22)16(19-15(20)18)10-6-8(17)2-4-12(10)23-13-5-3-9(21)7-11(13)16/h2-7,21H,1H3,(H2,18,19)
InChIKeyHSPOQXGWMNGCSB-UHFFFAOYSA-N
MW374.19 g/mol
LogP2.29
Rot. Bonds

About 2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one

2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one (PubChem CID 67459681) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is 2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one.

Molecular Properties

Compound Name2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one
PubChem CID67459681
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC Name2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one
SMILESCN1C(=O)C2(N=C1N)c1cc(O)ccc1Oc1ccc(Br)cc12
InChIInChI=1S/C16H12BrN3O3/c1-20-14(22)16(19-15(20)18)10-6-8(17)2-4-12(10)23-13-5-3-9(21)7-11(13)16/h2-7,21H,1H3,(H2,18,19)
InChIKeyHSPOQXGWMNGCSB-UHFFFAOYSA-N
XLogP2.29
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one?
The IUPAC name of 2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one (CID 67459681) is 2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one.
What is the SMILES notation for 2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one?
The canonical SMILES for 2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one is CN1C(=O)C2(N=C1N)c1cc(O)ccc1Oc1ccc(Br)cc12.
What is the InChIKey of 2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one?
The InChIKey is HSPOQXGWMNGCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c1-20-14(22)16(19-15(20)18)10-6-8(17)2-4-12(10)23-13-5-3-9(21)7-11(13)16/h2-7,21H,1H3,(H2,18,19).
What are the key properties of 2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one?
2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one has a molecular weight of 374.19 g/mol, XLogP of 2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one is sourced from PubChem (CID 67459681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).