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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Related Compounds

3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 17451250
2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione
CID 177333947
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one
CID 22107793
6-chloro-2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117130490
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
CID 41492662
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]aniline
CID 78912513
(5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 29358215
2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine
CID 4564792
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521849
6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one
CID 154754924
2-[(5-chloropyrazin-2-yl)methyl]isoindole-1,3-dione
CID 103054453
6-chloro-2-[(3-nitro-1,2,4-triazol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 47290059

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).