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

C14H16FN3O2 — CID 138391461

IUPAC7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CCOC)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
LogP1.62
Rot. Bonds3

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

7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one (PubChem CID 138391461) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one.

Molecular Properties

Compound Name7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
PubChem CID138391461
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
SMILES[H]/N=C1\NC(=O)N(CCOC)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
XLogP1.62
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-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

Related Compounds

1'-(2,2-Difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one
CID 145475207
4'-Amino-7-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
CID 83069200
4'-Amino-7-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
CID 83069287
4'-Amino-1'-ethyl-7-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
CID 83069366
4'-Amino-7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
CID 83069445
4'-Amino-7-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
CID 83069521
4'-Amino-7-fluoro-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
CID 83069599
7-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
CID 83070077
6-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
CID 116532528
4'-Amino-6-fluoro-1'-propylspiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
CID 116532539
4'-Amino-6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
CID 116532540
4'-Amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
CID 116532541

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one?
The IUPAC name of 7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one (CID 138391461) is 7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one.
What is the SMILES notation for 7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one?
The canonical SMILES for 7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one is [H]/N=C1\NC(=O)N(CCOC)C12CCc1c(F)cccc12.
What is the InChIKey of 7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-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 7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one?
7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one has a molecular weight of 277.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4'-imino-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one is sourced from PubChem (CID 138391461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).