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

C27H31F2N3O2 — CID 42274167

IUPAC(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1N[C@@](Cc2ccc(F)cc2)(C2CCN(Cc3ccccc3F)CC2)C(=O)N1C1CCCC1
InChIInChI=1S/C27H31F2N3O2/c28-22-11-9-19(10-12-22)17-27(25(33)32(26(34)30-27)23-6-2-3-7-23)21-13-15-31(16-14-21)18-20-5-1-4-8-24(20)29/h1,4-5,8-12,21,23H,2-3,6-7,13-18H2,(H,30,34)/t27-/m0/s1
InChIKeyDNCXXSQHBMPMOV-MHZLTWQESA-N
MW467.56 g/mol
LogP4.65
Rot. Bonds6

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

(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42274167) has the molecular formula C27H31F2N3O2 and a molecular weight of 467.56 g/mol. Its IUPAC name is (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42274167
Molecular FormulaC27H31F2N3O2
Molecular Weight467.56 g/mol
Exact Mass467.24
IUPAC Name(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1N[C@@](Cc2ccc(F)cc2)(C2CCN(Cc3ccccc3F)CC2)C(=O)N1C1CCCC1
InChIInChI=1S/C27H31F2N3O2/c28-22-11-9-19(10-12-22)17-27(25(33)32(26(34)30-27)23-6-2-3-7-23)21-13-15-31(16-14-21)18-20-5-1-4-8-24(20)29/h1,4-5,8-12,21,23H,2-3,6-7,13-18H2,(H,30,34)/t27-/m0/s1
InChIKeyDNCXXSQHBMPMOV-MHZLTWQESA-N
XLogP4.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]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

3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45204257
(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42452027
(5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione
CID 42365904
1-cyclopentyl-4-[(2-fluorophenyl)methyl]piperazine
CID 740956
(5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95220588
5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 45202560
(5S)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-3-[(3S)-oxolan-3-yl]imidazolidine-2,4-dione
CID 26277788
(5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95209787
5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 126463708
3-but-2-ynyl-5-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45199955
5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(oxolan-3-yl)imidazolidine-2,4-dione
CID 45211435
5-[(4-fluorophenyl)methyl]-5-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione
CID 118756895

Frequently Asked Questions

What is the IUPAC name of (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 42274167) is (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is O=C1N[C@@](Cc2ccc(F)cc2)(C2CCN(Cc3ccccc3F)CC2)C(=O)N1C1CCCC1.
What is the InChIKey of (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is DNCXXSQHBMPMOV-MHZLTWQESA-N. The full InChI is InChI=1S/C27H31F2N3O2/c28-22-11-9-19(10-12-22)17-27(25(33)32(26(34)30-27)23-6-2-3-7-23)21-13-15-31(16-14-21)18-20-5-1-4-8-24(20)29/h1,4-5,8-12,21,23H,2-3,6-7,13-18H2,(H,30,34)/t27-/m0/s1.
What are the key properties of (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 467.56 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42274167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).