3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione

C17H12ClN3O2 — CID 3130213

IUPAC3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(n2cnc3ccccc32)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O2/c18-11-5-7-12(8-6-11)21-16(22)9-15(17(21)23)20-10-19-13-3-1-2-4-14(13)20/h1-8,10,15H,9H2
InChIKeyYAQMQHHQMDLBFY-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.19
Rot. Bonds2

About 3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione

3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 3130213) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID3130213
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(n2cnc3ccccc32)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O2/c18-11-5-7-12(8-6-11)21-16(22)9-15(17(21)23)20-10-19-13-3-1-2-4-14(13)20/h1-8,10,15H,9H2
InChIKeyYAQMQHHQMDLBFY-UHFFFAOYSA-N
XLogP3.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione (CID 3130213) is 3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione is O=C1CC(n2cnc3ccccc32)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is YAQMQHHQMDLBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-11-5-7-12(8-6-11)21-16(22)9-15(17(21)23)20-10-19-13-3-1-2-4-14(13)20/h1-8,10,15H,9H2.
What are the key properties of 3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 325.76 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3130213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).