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

C23H24N4O2 — CID 2953320

IUPAC3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1
InChIInChI=1S/C23H24N4O2/c1-15-5-4-6-17(13-15)27-21(28)14-20(23(27)29)26-11-9-16(10-12-26)22-24-18-7-2-3-8-19(18)25-22/h2-8,13,16,20H,9-12,14H2,1H3,(H,24,25)
InChIKeyJNEYKSIBCOWMDE-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.38
Rot. Bonds3

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

3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 2953320) 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-(3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID2953320
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1
InChIInChI=1S/C23H24N4O2/c1-15-5-4-6-17(13-15)27-21(28)14-20(23(27)29)26-11-9-16(10-12-26)22-24-18-7-2-3-8-19(18)25-22/h2-8,13,16,20H,9-12,14H2,1H3,(H,24,25)
InChIKeyJNEYKSIBCOWMDE-UHFFFAOYSA-N
XLogP3.38
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.38
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-(3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione (CID 2953320) is 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)CC(N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1.
What is the InChIKey of 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is JNEYKSIBCOWMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-5-4-6-17(13-15)27-21(28)14-20(23(27)29)26-11-9-16(10-12-26)22-24-18-7-2-3-8-19(18)25-22/h2-8,13,16,20H,9-12,14H2,1H3,(H,24,25).
What are the key properties of 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione?
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 388.47 g/mol, XLogP of 3.38, 3 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-(3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2953320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).