5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C22H25ClFN3O4 — CID 56520377

IUPAC5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCOCC(C)n1c(C)cc(C(=O)CN2C(=O)NC(C)(c3ccc(F)cc3Cl)C2=O)c1C
InChIInChI=1S/C22H25ClFN3O4/c1-12-8-16(14(3)27(12)13(2)11-31-5)19(28)10-26-20(29)22(4,25-21(26)30)17-7-6-15(24)9-18(17)23/h6-9,13H,10-11H2,1-5H3,(H,25,30)
InChIKeyDLPJKNLGGBQVTE-UHFFFAOYSA-N
MW449.91 g/mol
LogP3.75
Rot. Bonds7

About 5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 56520377) has the molecular formula C22H25ClFN3O4 and a molecular weight of 449.91 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID56520377
Molecular FormulaC22H25ClFN3O4
Molecular Weight449.91 g/mol
Exact Mass449.15
IUPAC Name5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCOCC(C)n1c(C)cc(C(=O)CN2C(=O)NC(C)(c3ccc(F)cc3Cl)C2=O)c1C
InChIInChI=1S/C22H25ClFN3O4/c1-12-8-16(14(3)27(12)13(2)11-31-5)19(28)10-26-20(29)22(4,25-21(26)30)17-7-6-15(24)9-18(17)23/h6-9,13H,10-11H2,1-5H3,(H,25,30)
InChIKeyDLPJKNLGGBQVTE-UHFFFAOYSA-N
XLogP3.75
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.91
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520307
(5S)-3-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41048098
3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4813100
3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
CID 3452355
(5S)-3-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170785
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 7801414
5-ethyl-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 4804480
(5R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562039
(5S,6S)-3-[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7024092
methyl 4-[3-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 46815453
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 7713256
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 56520130

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 56520377) is 5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is COCC(C)n1c(C)cc(C(=O)CN2C(=O)NC(C)(c3ccc(F)cc3Cl)C2=O)c1C.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DLPJKNLGGBQVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O4/c1-12-8-16(14(3)27(12)13(2)11-31-5)19(28)10-26-20(29)22(4,25-21(26)30)17-7-6-15(24)9-18(17)23/h6-9,13H,10-11H2,1-5H3,(H,25,30).
What are the key properties of 5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 449.91 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 56520377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).