3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione

C13H13ClN4O2 — CID 79290267

IUPAC3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione
SMILESCC(Cl)c1nc2cnccc2n1C1CC(=O)N(C)C1=O
InChIInChI=1S/C13H13ClN4O2/c1-7(14)12-16-8-6-15-4-3-9(8)18(12)10-5-11(19)17(2)13(10)20/h3-4,6-7,10H,5H2,1-2H3
InChIKeyBKXXUHXRKHXCIM-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.66
Rot. Bonds2

About 3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione

3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione (PubChem CID 79290267) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione
PubChem CID79290267
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione
SMILESCC(Cl)c1nc2cnccc2n1C1CC(=O)N(C)C1=O
InChIInChI=1S/C13H13ClN4O2/c1-7(14)12-16-8-6-15-4-3-9(8)18(12)10-5-11(19)17(2)13(10)20/h3-4,6-7,10H,5H2,1-2H3
InChIKeyBKXXUHXRKHXCIM-UHFFFAOYSA-N
XLogP1.66
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione (CID 79290267) is 3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione is CC(Cl)c1nc2cnccc2n1C1CC(=O)N(C)C1=O.
What is the InChIKey of 3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is BKXXUHXRKHXCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-7(14)12-16-8-6-15-4-3-9(8)18(12)10-5-11(19)17(2)13(10)20/h3-4,6-7,10H,5H2,1-2H3.
What are the key properties of 3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione?
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 292.73 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 79290267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).