5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

C24H28FN3O2 — CID 45202560

IUPAC5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2CCC(C3(Cc4ccccc4F)NC(=O)NC3=O)CC2)cc1C
InChIInChI=1S/C24H28FN3O2/c1-16-7-8-18(13-17(16)2)15-28-11-9-20(10-12-28)24(22(29)26-23(30)27-24)14-19-5-3-4-6-21(19)25/h3-8,13,20H,9-12,14-15H2,1-2H3,(H2,26,27,29,30)
InChIKeyRGJOUCVKHWYSEB-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.48
Rot. Bonds5

About 5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 45202560) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID45202560
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2CCC(C3(Cc4ccccc4F)NC(=O)NC3=O)CC2)cc1C
InChIInChI=1S/C24H28FN3O2/c1-16-7-8-18(13-17(16)2)15-28-11-9-20(10-12-28)24(22(29)26-23(30)27-24)14-19-5-3-4-6-21(19)25/h3-8,13,20H,9-12,14-15H2,1-2H3,(H2,26,27,29,30)
InChIKeyRGJOUCVKHWYSEB-UHFFFAOYSA-N
XLogP3.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-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

5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 126463708
5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45204894
5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 126462350
(5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42163156
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42192312
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42322122
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706
5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45181974
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26277872
(5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42343993
5-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45195590
(5S)-3-but-2-ynyl-5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 42459377

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 45202560) is 5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is Cc1ccc(CN2CCC(C3(Cc4ccccc4F)NC(=O)NC3=O)CC2)cc1C.
What is the InChIKey of 5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is RGJOUCVKHWYSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-16-7-8-18(13-17(16)2)15-28-11-9-20(10-12-28)24(22(29)26-23(30)27-24)14-19-5-3-4-6-21(19)25/h3-8,13,20H,9-12,14-15H2,1-2H3,(H2,26,27,29,30).
What are the key properties of 5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 409.51 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45202560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).