1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione

C28H19N5O2 — CID 123676882

IUPAC1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccc3nc[nH]c3c2)C(c2cccc3cccnc23)C1c1c[nH]c2ccccc12
InChIInChI=1S/C28H19N5O2/c34-27-24(20-14-30-21-9-2-1-7-18(20)21)26(19-8-3-5-16-6-4-12-29-25(16)19)33(28(27)35)17-10-11-22-23(13-17)32-15-31-22/h1-15,24,26,30H,(H,31,32)
InChIKeyWHSBCAWQCYXPAR-UHFFFAOYSA-N
MW457.49 g/mol
LogP5.03
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione

1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione (PubChem CID 123676882) has the molecular formula C28H19N5O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione
PubChem CID123676882
Molecular FormulaC28H19N5O2
Molecular Weight457.49 g/mol
Exact Mass457.15
IUPAC Name1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccc3nc[nH]c3c2)C(c2cccc3cccnc23)C1c1c[nH]c2ccccc12
InChIInChI=1S/C28H19N5O2/c34-27-24(20-14-30-21-9-2-1-7-18(20)21)26(19-8-3-5-16-6-4-12-29-25(16)19)33(28(27)35)17-10-11-22-23(13-17)32-15-31-22/h1-15,24,26,30H,(H,31,32)
InChIKeyWHSBCAWQCYXPAR-UHFFFAOYSA-N
XLogP5.03
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrole-2,3-diol
CID 90949166
1-(3H-benzimidazol-5-yl)-5-(2,3-difluorophenyl)-4-(2,2-dimethylpropanoyl)pyrrolidine-2,3-dione
CID 123226027
4-acetyl-1-(3H-benzimidazol-5-yl)-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione
CID 123919281
1-(3H-benzimidazol-5-yl)-5-(4,5-dimethylfuran-2-yl)-4-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 123757557
2-(3H-benzimidazol-5-yl)-3-(3,4-dimethoxyphenyl)-3H-isoindol-1-one
CID 58229235
1-(3H-benzimidazol-5-yl)-5-(2-chloro-3,6-difluorophenyl)-4-methylpyrrolidine-2,3-dione
CID 90950346
(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one
CID 138503619
1-(3H-benzimidazol-5-yl)-5-(3-phenylphenyl)imidazolidin-2-one
CID 58229098
1-(3H-benzimidazol-5-yl)-4-(3-methylbutanoyl)-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione
CID 123215530
1-(3H-benzimidazol-5-yl)-5-(furan-2-yl)-4-(3-methylbutanoyl)pyrrolidine-2,3-dione
CID 123599027
1-(3H-benzimidazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]-4-butanoylpyrrolidine-2,3-dione
CID 123182617
1-(3H-benzimidazol-5-yl)-4-butanoyl-5-(1H-imidazol-5-yl)pyrrolidine-2,3-dione
CID 123225479

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione (CID 123676882) is 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione is O=C1C(=O)N(c2ccc3nc[nH]c3c2)C(c2cccc3cccnc23)C1c1c[nH]c2ccccc12.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione?
The InChIKey is WHSBCAWQCYXPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O2/c34-27-24(20-14-30-21-9-2-1-7-18(20)21)26(19-8-3-5-16-6-4-12-29-25(16)19)33(28(27)35)17-10-11-22-23(13-17)32-15-31-22/h1-15,24,26,30H,(H,31,32).
What are the key properties of 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione?
1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione has a molecular weight of 457.49 g/mol, XLogP of 5.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-4-(1H-indol-3-yl)-5-quinolin-8-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 123676882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).