2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione

C16H11N3O2 — CID 75365546

IUPAC2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc2nccn2c1
InChIInChI=1S/C16H11N3O2/c20-15-12-3-1-2-4-13(12)16(21)19(15)10-11-5-6-14-17-7-8-18(14)9-11/h1-9H,10H2
InChIKeyZBACLVPTQBTADW-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.13
Rot. Bonds2

About 2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione

2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione (PubChem CID 75365546) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione
PubChem CID75365546
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc2nccn2c1
InChIInChI=1S/C16H11N3O2/c20-15-12-3-1-2-4-13(12)16(21)19(15)10-11-5-6-14-17-7-8-18(14)9-11/h1-9H,10H2
InChIKeyZBACLVPTQBTADW-UHFFFAOYSA-N
XLogP2.13
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.13
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-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione (CID 75365546) is 2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc2nccn2c1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione?
The InChIKey is ZBACLVPTQBTADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-15-12-3-1-2-4-13(12)16(21)19(15)10-11-5-6-14-17-7-8-18(14)9-11/h1-9H,10H2.
What are the key properties of 2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione?
2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione has a molecular weight of 277.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-6-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 75365546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).