3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione

C16H19N3O3 — CID 171641750

IUPAC3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCc1ccc2c(c1)n(C(C)C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O3/c1-9(2)18-13-8-10(3)4-5-11(13)19(16(18)22)12-6-7-14(20)17-15(12)21/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,20,21)
InChIKeyGSJCOBAKPQACBB-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.67
Rot. Bonds2

About 3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione

3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 171641750) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID171641750
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCc1ccc2c(c1)n(C(C)C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O3/c1-9(2)18-13-8-10(3)4-5-11(13)19(16(18)22)12-6-7-14(20)17-15(12)21/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,20,21)
InChIKeyGSJCOBAKPQACBB-UHFFFAOYSA-N
XLogP1.67
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione (CID 171641750) is 3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione is Cc1ccc2c(c1)n(C(C)C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is GSJCOBAKPQACBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9(2)18-13-8-10(3)4-5-11(13)19(16(18)22)12-6-7-14(20)17-15(12)21/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,20,21).
What are the key properties of 3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 301.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 171641750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).