1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione

C19H16N4O4S — CID 146022828

IUPAC1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C19H16N4O4S/c24-17-9-10-18(25)23(17)13-5-7-14(8-6-13)28(26,27)22-12-11-21-16-4-2-1-3-15(16)20-19(21)22/h1-8H,9-12H2
InChIKeyKBYFHXHFJYBBGZ-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.90
Rot. Bonds3

About 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione

1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 146022828) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione
PubChem CID146022828
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC Name1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C19H16N4O4S/c24-17-9-10-18(25)23(17)13-5-7-14(8-6-13)28(26,27)22-12-11-21-16-4-2-1-3-15(16)20-19(21)22/h1-8H,9-12H2
InChIKeyKBYFHXHFJYBBGZ-UHFFFAOYSA-N
XLogP1.90
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione (CID 146022828) is 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCn3c2nc2ccccc23)cc1.
What is the InChIKey of 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is KBYFHXHFJYBBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c24-17-9-10-18(25)23(17)13-5-7-14(8-6-13)28(26,27)22-12-11-21-16-4-2-1-3-15(16)20-19(21)22/h1-8H,9-12H2.
What are the key properties of 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione?
1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 396.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-ylsulfonyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 146022828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).