2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one

C22H25N3O3 — CID 53492648

IUPAC2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one
SMILESCOc1ccc2c(c1)C1(N=C(N)N(C)C1=O)c1cc(CCC(C)C)ccc1O2
InChIInChI=1S/C22H25N3O3/c1-13(2)5-6-14-7-9-18-16(11-14)22(20(26)25(3)21(23)24-22)17-12-15(27-4)8-10-19(17)28-18/h7-13H,5-6H2,1-4H3,(H2,23,24)
InChIKeyOJOSMCFAVDROKX-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.42
Rot. Bonds4

About 2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one

2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one (PubChem CID 53492648) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one.

Molecular Properties

Compound Name2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one
PubChem CID53492648
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one
SMILESCOc1ccc2c(c1)C1(N=C(N)N(C)C1=O)c1cc(CCC(C)C)ccc1O2
InChIInChI=1S/C22H25N3O3/c1-13(2)5-6-14-7-9-18-16(11-14)22(20(26)25(3)21(23)24-22)17-12-15(27-4)8-10-19(17)28-18/h7-13H,5-6H2,1-4H3,(H2,23,24)
InChIKeyOJOSMCFAVDROKX-UHFFFAOYSA-N
XLogP3.42
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one?
The IUPAC name of 2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one (CID 53492648) is 2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one.
What is the SMILES notation for 2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one?
The canonical SMILES for 2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one is COc1ccc2c(c1)C1(N=C(N)N(C)C1=O)c1cc(CCC(C)C)ccc1O2.
What is the InChIKey of 2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one?
The InChIKey is OJOSMCFAVDROKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-13(2)5-6-14-7-9-18-16(11-14)22(20(26)25(3)21(23)24-22)17-12-15(27-4)8-10-19(17)28-18/h7-13H,5-6H2,1-4H3,(H2,23,24).
What are the key properties of 2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one?
2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one has a molecular weight of 379.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one is sourced from PubChem (CID 53492648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).