1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one

C13H18FN3O — CID 116978671

IUPAC1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one
SMILESCC(CCN)N1CC(c2cccc(F)c2)NC1=O
InChIInChI=1S/C13H18FN3O/c1-9(5-6-15)17-8-12(16-13(17)18)10-3-2-4-11(14)7-10/h2-4,7,9,12H,5-6,8,15H2,1H3,(H,16,18)
InChIKeyRGMJEYGFPDPYGD-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.63
Rot. Bonds4

About 1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one

1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one (PubChem CID 116978671) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one
PubChem CID116978671
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one
SMILESCC(CCN)N1CC(c2cccc(F)c2)NC1=O
InChIInChI=1S/C13H18FN3O/c1-9(5-6-15)17-8-12(16-13(17)18)10-3-2-4-11(14)7-10/h2-4,7,9,12H,5-6,8,15H2,1H3,(H,16,18)
InChIKeyRGMJEYGFPDPYGD-UHFFFAOYSA-N
XLogP1.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-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

4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116978279
1-(1-hydroxyethyl)-4-phenylimidazolidin-2-one
CID 70630511
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482
3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979669
1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one
CID 116978704
1-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylimidazolidin-2-one
CID 116981558
3-(3-fluorophenyl)-1-methylpyrazolidine
CID 163747853
2-[4-(3-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(1-phenylethyl)butanamide
CID 42851595
4-(3,4-difluorophenyl)-1-(1-phenylethyl)-1,3-diazinan-2-one
CID 20709282
4-(3,4-difluorophenyl)-1-[(1R)-1-phenylethyl]-1,3-diazinan-2-one
CID 59975359
(4R)-4-(3-fluorophenyl)-6-(3-methylbutyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 40813711
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979660

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one (CID 116978671) is 1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one is CC(CCN)N1CC(c2cccc(F)c2)NC1=O.
What is the InChIKey of 1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one?
The InChIKey is RGMJEYGFPDPYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-9(5-6-15)17-8-12(16-13(17)18)10-3-2-4-11(14)7-10/h2-4,7,9,12H,5-6,8,15H2,1H3,(H,16,18).
What are the key properties of 1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one?
1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one has a molecular weight of 251.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 116978671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).