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

C23H24N4O2 — CID 2961811

IUPAC3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H24N4O2/c28-21-14-20(23(29)27(21)15-16-6-2-1-3-7-16)26-12-10-17(11-13-26)22-24-18-8-4-5-9-19(18)25-22/h1-9,17,20H,10-15H2,(H,24,25)
InChIKeyLEQDQZLWZKNJSE-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.07
Rot. Bonds4

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

3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione (PubChem CID 2961811) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione
PubChem CID2961811
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H24N4O2/c28-21-14-20(23(29)27(21)15-16-6-2-1-3-7-16)26-12-10-17(11-13-26)22-24-18-8-4-5-9-19(18)25-22/h1-9,17,20H,10-15H2,(H,24,25)
InChIKeyLEQDQZLWZKNJSE-UHFFFAOYSA-N
XLogP3.07
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
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-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione (CID 2961811) is 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione is O=C1CC(N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione?
The InChIKey is LEQDQZLWZKNJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-21-14-20(23(29)27(21)15-16-6-2-1-3-7-16)26-12-10-17(11-13-26)22-24-18-8-4-5-9-19(18)25-22/h1-9,17,20H,10-15H2,(H,24,25).
What are the key properties of 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione?
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione has a molecular weight of 388.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-benzylpyrrolidine-2,5-dione is sourced from PubChem (CID 2961811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).