3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione

C17H24FN3O2 — CID 94470068

IUPAC3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC[C@@H](c1ccccc1F)N(C)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H24FN3O2/c1-12(13-8-5-6-9-14(13)18)20(4)10-7-11-21-15(22)17(2,3)19-16(21)23/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,19,23)/t12-/m0/s1
InChIKeyBDSFULHPCHGXBM-LBPRGKRZSA-N
MW321.40 g/mol
LogP2.54
Rot. Bonds6

About 3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 94470068) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID94470068
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC[C@@H](c1ccccc1F)N(C)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H24FN3O2/c1-12(13-8-5-6-9-14(13)18)20(4)10-7-11-21-15(22)17(2,3)19-16(21)23/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,19,23)/t12-/m0/s1
InChIKeyBDSFULHPCHGXBM-LBPRGKRZSA-N
XLogP2.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione 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

Ethotoin
CID 3292
Mephenytoin
CID 4060
Mephenytoin, (+)-
CID 107921
Phenylhydantoin
CID 1002
Methetoin
CID 21908
1-Benzylimidazolidine-2,4,5-trione
CID 562619
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-phenylpropyl)propionamide
CID 11580945
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 94470068) is 3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione is C[C@@H](c1ccccc1F)N(C)CCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is BDSFULHPCHGXBM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12(13-8-5-6-9-14(13)18)20(4)10-7-11-21-15(22)17(2,3)19-16(21)23/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,19,23)/t12-/m0/s1.
What are the key properties of 3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 321.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 94470068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).