4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

C14H16FN3O — CID 116532539

IUPAC4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESCCCN1C(=O)N=C(N)C12CCc1cc(F)ccc12
InChIInChI=1S/C14H16FN3O/c1-2-7-18-13(19)17-12(16)14(18)6-5-9-8-10(15)3-4-11(9)14/h3-4,8H,2,5-7H2,1H3,(H2,16,17,19)
InChIKeyRJSZSTXPDMGHQS-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.17
Rot. Bonds2

About 4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (PubChem CID 116532539) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
PubChem CID116532539
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESCCCN1C(=O)N=C(N)C12CCc1cc(F)ccc12
InChIInChI=1S/C14H16FN3O/c1-2-7-18-13(19)17-12(16)14(18)6-5-9-8-10(15)3-4-11(9)14/h3-4,8H,2,5-7H2,1H3,(H2,16,17,19)
InChIKeyRJSZSTXPDMGHQS-UHFFFAOYSA-N
XLogP2.17
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (CID 116532539) is 4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is CCCN1C(=O)N=C(N)C12CCc1cc(F)ccc12.
What is the InChIKey of 4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The InChIKey is RJSZSTXPDMGHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-7-18-13(19)17-12(16)14(18)6-5-9-8-10(15)3-4-11(9)14/h3-4,8H,2,5-7H2,1H3,(H2,16,17,19).
What are the key properties of 4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
4'-amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one has a molecular weight of 261.30 g/mol, XLogP of 2.17, 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'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is sourced from PubChem (CID 116532539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).