5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one

C13H14FN3O — CID 79960849

IUPAC5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one
SMILESCc1ccc(C2C(N)=NC(=O)N2C2CC2)cc1F
InChIInChI=1S/C13H14FN3O/c1-7-2-3-8(6-10(7)14)11-12(15)16-13(18)17(11)9-4-5-9/h2-3,6,9,11H,4-5H2,1H3,(H2,15,16,18)
InChIKeyJVNSSMAANGWIMU-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.13
Rot. Bonds2

About 5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one

5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one (PubChem CID 79960849) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one
PubChem CID79960849
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one
SMILESCc1ccc(C2C(N)=NC(=O)N2C2CC2)cc1F
InChIInChI=1S/C13H14FN3O/c1-7-2-3-8(6-10(7)14)11-12(15)16-13(18)17(11)9-4-5-9/h2-3,6,9,11H,4-5H2,1H3,(H2,15,16,18)
InChIKeyJVNSSMAANGWIMU-UHFFFAOYSA-N
XLogP2.13
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-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

5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one
CID 79961022
5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one
CID 79961761
8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62741010
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
(2R)-2-(3-fluoro-4-methylphenyl)azetidine
CID 130737796
(3S)-3-(3-fluoro-4-methylphenyl)-5-(iodomethyl)pyrrolidin-2-one
CID 141301991
5-amino-3-but-3-yn-2-yl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one
CID 114420959
(6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one
CID 143505729
3-(3-fluoro-4-methylphenyl)-1-methylpyrrolidine-2,5-dione
CID 70971687
4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one
CID 66109341
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183858
(4R)-4-(3-fluoro-4-methylphenyl)-1,3-oxazinan-2-one
CID 171185070

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one (CID 79960849) is 5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one is Cc1ccc(C2C(N)=NC(=O)N2C2CC2)cc1F.
What is the InChIKey of 5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one?
The InChIKey is JVNSSMAANGWIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-7-2-3-8(6-10(7)14)11-12(15)16-13(18)17(11)9-4-5-9/h2-3,6,9,11H,4-5H2,1H3,(H2,15,16,18).
What are the key properties of 5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one has a molecular weight of 247.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79960849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).