1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione

C22H21FN4O3 — CID 2982662

IUPAC1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O3/c23-14-5-7-15(8-6-14)27-20(28)13-19(21(27)29)25-11-9-16(10-12-25)26-18-4-2-1-3-17(18)24-22(26)30/h1-8,16,19H,9-13H2,(H,24,30)
InChIKeyWNPZPHQLNZASOT-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.44
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione

1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2982662) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID2982662
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O3/c23-14-5-7-15(8-6-14)27-20(28)13-19(21(27)29)25-11-9-16(10-12-25)26-18-4-2-1-3-17(18)24-22(26)30/h1-8,16,19H,9-13H2,(H,24,30)
InChIKeyWNPZPHQLNZASOT-UHFFFAOYSA-N
XLogP2.44
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-5-cyclohexyl-2,4-dioxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-benzodiazepin-3-yl]-3-(4-fluorophenyl)urea
CID 9914672
2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenyltetrahydro-1(2H)-pyrazinecarboxamide
CID 2812685
Benzimidazolone scaffold, 15c
CID 42618263
1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 166451583
N-(2-Fluoro-phenyl)-2-[4-(3-phenyl-ureido)-piperidin-1-yl]-acetamide
CID 3220954
E3 ligase Ligand 29
CID 138467239
N-(3-fluorophenyl)-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-3,6-dihydropyridine-1(2H)-carboxamide
CID 3239571
N-cyclohexyl[4-(2-oxo(3-hydrobenzimidazolyl))piperidyl]carboxamide
CID 5307696
6-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
CID 10594888
2-{3-[2-(Cyclohex-1-EN-1-YL)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-YL}-N-(4-fluorophenyl)acetamide
CID 16009094
2-(1-ethyl-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 16187610
(S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-2-oxo-3-(2-(pyrrolidin-1-yl)ethyl)-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44576652

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 2982662) is 1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is WNPZPHQLNZASOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c23-14-5-7-15(8-6-14)27-20(28)13-19(21(27)29)25-11-9-16(10-12-25)26-18-4-2-1-3-17(18)24-22(26)30/h1-8,16,19H,9-13H2,(H,24,30).
What are the key properties of 1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 408.43 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2982662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).