(5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

C27H28FN3O3 — CID 41169021

IUPAC(5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(CCc3ccccc3)c2C)C1=O
InChIInChI=1S/C27H28FN3O3/c1-4-27(21-10-12-22(28)13-11-21)25(33)31(26(34)29-27)17-24(32)23-16-18(2)30(19(23)3)15-14-20-8-6-5-7-9-20/h5-13,16H,4,14-15,17H2,1-3H3,(H,29,34)/t27-/m1/s1
InChIKeyZJDRFUHMYIBGNU-HHHXNRCGSA-N
MW461.54 g/mol
LogP4.53
Rot. Bonds8

About (5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

(5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 41169021) has the molecular formula C27H28FN3O3 and a molecular weight of 461.54 g/mol. Its IUPAC name is (5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID41169021
Molecular FormulaC27H28FN3O3
Molecular Weight461.54 g/mol
Exact Mass461.21
IUPAC Name(5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(CCc3ccccc3)c2C)C1=O
InChIInChI=1S/C27H28FN3O3/c1-4-27(21-10-12-22(28)13-11-21)25(33)31(26(34)29-27)17-24(32)23-16-18(2)30(19(23)3)15-14-20-8-6-5-7-9-20/h5-13,16H,4,14-15,17H2,1-3H3,(H,29,34)/t27-/m1/s1
InChIKeyZJDRFUHMYIBGNU-HHHXNRCGSA-N
XLogP4.53
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)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-ethyl-5-(4-fluorophenyl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 4804731
(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 2086402
(5S)-3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181267
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
5-(4-chlorophenyl)-5-ethyl-3-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 42979345
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 16615032
(5R)-3-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 2121476
(5R)-5-ethyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 42064162
(5R)-3-[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 2574250
3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 18775731
(5S)-3-[2-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 41186960
(5R)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242269

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 41169021) is (5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(CCc3ccccc3)c2C)C1=O.
What is the InChIKey of (5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is ZJDRFUHMYIBGNU-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H28FN3O3/c1-4-27(21-10-12-22(28)13-11-21)25(33)31(26(34)29-27)17-24(32)23-16-18(2)30(19(23)3)15-14-20-8-6-5-7-9-20/h5-13,16H,4,14-15,17H2,1-3H3,(H,29,34)/t27-/m1/s1.
What are the key properties of (5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
(5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 461.54 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 41169021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).