4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

C14H16FN3O2 — CID 83069445

IUPAC4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESCOCCN1C(=O)N=C(N)C12CCc1c(F)cccc12
InChIInChI=1S/C14H16FN3O2/c1-20-8-7-18-13(19)17-12(16)14(18)6-5-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3,(H2,16,17,19)
InChIKeyQTWAULQOSRYHJM-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.41
Rot. Bonds3

About 4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (PubChem CID 83069445) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
PubChem CID83069445
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESCOCCN1C(=O)N=C(N)C12CCc1c(F)cccc12
InChIInChI=1S/C14H16FN3O2/c1-20-8-7-18-13(19)17-12(16)14(18)6-5-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3,(H2,16,17,19)
InChIKeyQTWAULQOSRYHJM-UHFFFAOYSA-N
XLogP1.41
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (CID 83069445) is 4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is COCCN1C(=O)N=C(N)C12CCc1c(F)cccc12.
What is the InChIKey of 4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The InChIKey is QTWAULQOSRYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-20-8-7-18-13(19)17-12(16)14(18)6-5-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3,(H2,16,17,19).
What are the key properties of 4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one has a molecular weight of 277.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is sourced from PubChem (CID 83069445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).