2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione

C16H10ClN3O2 — CID 131122854

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C16H10ClN3O2/c17-10-5-6-14-18-11(8-19(14)7-10)9-20-15(21)12-3-1-2-4-13(12)16(20)22/h1-8H,9H2
InChIKeyIDWKSTONPBSDIM-UHFFFAOYSA-N
MW311.73 g/mol
LogP2.78
Rot. Bonds2

About 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione (PubChem CID 131122854) has the molecular formula C16H10ClN3O2 and a molecular weight of 311.73 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione
PubChem CID131122854
Molecular FormulaC16H10ClN3O2
Molecular Weight311.73 g/mol
Exact Mass311.05
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C16H10ClN3O2/c17-10-5-6-14-18-11(8-19(14)7-10)9-20-15(21)12-3-1-2-4-13(12)16(20)22/h1-8H,9H2
InChIKeyIDWKSTONPBSDIM-UHFFFAOYSA-N
XLogP2.78
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione (CID 131122854) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione?
The InChIKey is IDWKSTONPBSDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O2/c17-10-5-6-14-18-11(8-19(14)7-10)9-20-15(21)12-3-1-2-4-13(12)16(20)22/h1-8H,9H2.
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione has a molecular weight of 311.73 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 131122854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).