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

C16H19N3O3 — CID 138727887

IUPAC3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCC(C)c1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O3/c1-9(2)10-4-5-11-13(8-10)18(3)16(22)19(11)12-6-7-14(20)17-15(12)21/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,20,21)
InChIKeyRIBCHKNAWONHQZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.44
Rot. Bonds2

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

3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 138727887) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID138727887
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCC(C)c1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O3/c1-9(2)10-4-5-11-13(8-10)18(3)16(22)19(11)12-6-7-14(20)17-15(12)21/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,20,21)
InChIKeyRIBCHKNAWONHQZ-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

3-(3-methyl-5-octan-4-yl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 176968495
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
1-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-3-methyl-5-propan-2-ylbenzimidazol-2-one
CID 166733214
3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138727888
3-[5-(aminomethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 171934885
(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170706486
3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 155405525
3-[3-methyl-2-oxo-5-(4-phosphanylpiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione
CID 176963119
3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 171641750
3-[5-[[4-(2,2-dihydroxyethyl)cyclohexyl]methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166754498
3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166472201
4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde
CID 156798922

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione (CID 138727887) is 3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione is CC(C)c1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is RIBCHKNAWONHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9(2)10-4-5-11-13(8-10)18(3)16(22)19(11)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-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 301.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 138727887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).