4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

C14H16FN3O — CID 83069521

IUPAC4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESCC(C)N1C(=O)N=C(N)C12CCc1c(F)cccc12
InChIInChI=1S/C14H16FN3O/c1-8(2)18-13(19)17-12(16)14(18)7-6-9-10(14)4-3-5-11(9)15/h3-5,8H,6-7H2,1-2H3,(H2,16,17,19)
InChIKeyYFJAIGDSSQGBCT-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.17
Rot. Bonds1

About 4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (PubChem CID 83069521) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
PubChem CID83069521
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESCC(C)N1C(=O)N=C(N)C12CCc1c(F)cccc12
InChIInChI=1S/C14H16FN3O/c1-8(2)18-13(19)17-12(16)14(18)7-6-9-10(14)4-3-5-11(9)15/h3-5,8H,6-7H2,1-2H3,(H2,16,17,19)
InChIKeyYFJAIGDSSQGBCT-UHFFFAOYSA-N
XLogP2.17
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (CID 83069521) is 4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is CC(C)N1C(=O)N=C(N)C12CCc1c(F)cccc12.
What is the InChIKey of 4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The InChIKey is YFJAIGDSSQGBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-8(2)18-13(19)17-12(16)14(18)7-6-9-10(14)4-3-5-11(9)15/h3-5,8H,6-7H2,1-2H3,(H2,16,17,19).
What are the key properties of 4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one has a molecular weight of 261.30 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is sourced from PubChem (CID 83069521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).