3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C16H20N4O3 — CID 138491613

IUPAC3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCN(C)Cc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C16H20N4O3/c1-18(2)9-10-4-5-11-13(8-10)19(3)16(23)20(11)12-6-7-14(21)17-15(12)22/h4-5,8,12H,6-7,9H2,1-3H3,(H,17,21,22)
InChIKeyMFCKZYOMPCLDHK-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.38
Rot. Bonds3

About 3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 138491613) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
PubChem CID138491613
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCN(C)Cc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C16H20N4O3/c1-18(2)9-10-4-5-11-13(8-10)19(3)16(23)20(11)12-6-7-14(21)17-15(12)22/h4-5,8,12H,6-7,9H2,1-3H3,(H,17,21,22)
InChIKeyMFCKZYOMPCLDHK-UHFFFAOYSA-N
XLogP0.38
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 138491613) is 3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CN(C)Cc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is MFCKZYOMPCLDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-18(2)9-10-4-5-11-13(8-10)19(3)16(23)20(11)12-6-7-14(21)17-15(12)22/h4-5,8,12H,6-7,9H2,1-3H3,(H,17,21,22).
What are the key properties of 3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 316.36 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(dimethylamino)methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 138491613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).