4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one

C13H14FN3O — CID 116532541

IUPAC4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESCCN1C(=O)N=C(N)C12CCc1cc(F)ccc12
InChIInChI=1S/C13H14FN3O/c1-2-17-12(18)16-11(15)13(17)6-5-8-7-9(14)3-4-10(8)13/h3-4,7H,2,5-6H2,1H3,(H2,15,16,18)
InChIKeyQWGKKHDBSCSLPQ-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.78
Rot. Bonds1

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

4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (PubChem CID 116532541) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
PubChem CID116532541
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one
SMILESCCN1C(=O)N=C(N)C12CCc1cc(F)ccc12
InChIInChI=1S/C13H14FN3O/c1-2-17-12(18)16-11(15)13(17)6-5-8-7-9(14)3-4-10(8)13/h3-4,7H,2,5-6H2,1H3,(H2,15,16,18)
InChIKeyQWGKKHDBSCSLPQ-UHFFFAOYSA-N
XLogP1.78
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(Dipropylamino)methyl]-3-(4-fluorophenyl)-2,3-dihydroinden-1-yl]urea
CID 67665374
(5'R)-5-fluoro-5'-methyl-5'-propyl-1'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one
CID 71243225
1'-(2,2-Difluoropropyl)-5'-iminospiro[1,2-dihydroindene-3,4'-imidazolidine]-2'-one
CID 145475207
5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one
CID 79959461
5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one
CID 79959681
5-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one
CID 79959916
5-amino-3-cyclopropyl-4-(4-fluoro-2-methylphenyl)-4H-imidazol-2-one
CID 79960066
5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one
CID 79960070
5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one
CID 79960127
5-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-imidazol-2-one
CID 79960663
5-amino-4-(2,4-difluorophenyl)-3-propyl-4H-imidazol-2-one
CID 79960671
5-amino-4-(2,5-difluorophenyl)-3-ethyl-4H-imidazol-2-one
CID 79960910

Frequently Asked Questions

What is the IUPAC name of 4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one (CID 116532541) is 4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is CCN1C(=O)N=C(N)C12CCc1cc(F)ccc12.
What is the InChIKey of 4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
The InChIKey is QWGKKHDBSCSLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-17-12(18)16-11(15)13(17)6-5-8-7-9(14)3-4-10(8)13/h3-4,7H,2,5-6H2,1H3,(H2,15,16,18).
What are the key properties of 4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one?
4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one has a molecular weight of 247.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1'-ethyl-6-fluorospiro[1,2-dihydroindene-3,5'-imidazole]-2'-one is sourced from PubChem (CID 116532541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).