4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

C15H18FN3O — CID 116532540

IUPAC4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCc1cc(F)ccc12
InChIInChI=1S/C15H18FN3O/c1-9(2)8-19-14(20)18-13(17)15(19)6-5-10-7-11(16)3-4-12(10)15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,18,20)
InChIKeyXIUVAJBHBKMHQK-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.42
Rot. Bonds2

About 4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (PubChem CID 116532540) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
PubChem CID116532540
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCc1cc(F)ccc12
InChIInChI=1S/C15H18FN3O/c1-9(2)8-19-14(20)18-13(17)15(19)6-5-10-7-11(16)3-4-12(10)15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,18,20)
InChIKeyXIUVAJBHBKMHQK-UHFFFAOYSA-N
XLogP2.42
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (CID 116532540) is 4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is CC(C)CN1C(=O)N=C(N)C12CCc1cc(F)ccc12.
What is the InChIKey of 4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The InChIKey is XIUVAJBHBKMHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9(2)8-19-14(20)18-13(17)15(19)6-5-10-7-11(16)3-4-12(10)15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,18,20).
What are the key properties of 4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one has a molecular weight of 275.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is sourced from PubChem (CID 116532540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).