3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione

C17H21N3O4 — CID 164567760

IUPAC3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCOc1ccc(C(C)C)c2c1n(C1CCC(=O)NC1=O)c(=O)n2C
InChIInChI=1S/C17H21N3O4/c1-9(2)10-5-7-12(24-4)15-14(10)19(3)17(23)20(15)11-6-8-13(21)18-16(11)22/h5,7,9,11H,6,8H2,1-4H3,(H,18,21,22)
InChIKeyCCTZAMWCMXKQSD-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.45
Rot. Bonds3

About 3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione

3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 164567760) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID164567760
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCOc1ccc(C(C)C)c2c1n(C1CCC(=O)NC1=O)c(=O)n2C
InChIInChI=1S/C17H21N3O4/c1-9(2)10-5-7-12(24-4)15-14(10)19(3)17(23)20(15)11-6-8-13(21)18-16(11)22/h5,7,9,11H,6,8H2,1-4H3,(H,18,21,22)
InChIKeyCCTZAMWCMXKQSD-UHFFFAOYSA-N
XLogP1.45
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-methoxy-3-methyl-4-[4-(methylamino)piperidin-1-yl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 164567656
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887
5-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynal
CID 156860952
3-[3-methyl-4-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166800461
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 156836715
3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 163611115
3-[4-(3-hydroperoxypropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 175172491
3-[3-methyl-4-[3-(methylamino)propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138694181
3-(4-ethyl-3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 176933360
3-(3-methyl-2-oxo-4-prop-1-en-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567593

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione (CID 164567760) is 3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione is COc1ccc(C(C)C)c2c1n(C1CCC(=O)NC1=O)c(=O)n2C.
What is the InChIKey of 3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is CCTZAMWCMXKQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-9(2)10-5-7-12(24-4)15-14(10)19(3)17(23)20(15)11-6-8-13(21)18-16(11)22/h5,7,9,11H,6,8H2,1-4H3,(H,18,21,22).
What are the key properties of 3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione?
3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 331.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 164567760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).