2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide

C15H14N4O — CID 24695598

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCc1cn2ccccc2n1
InChIInChI=1S/C15H14N4O/c16-15(17)12-5-1-2-6-13(12)20-10-11-9-19-8-4-3-7-14(19)18-11/h1-9H,10H2,(H3,16,17)
InChIKeyCHARLBGNZBZFOF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.20
Rot. Bonds4

About 2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide

2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide (PubChem CID 24695598) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide
PubChem CID24695598
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCc1cn2ccccc2n1
InChIInChI=1S/C15H14N4O/c16-15(17)12-5-1-2-6-13(12)20-10-11-9-19-8-4-3-7-14(19)18-11/h1-9H,10H2,(H3,16,17)
InChIKeyCHARLBGNZBZFOF-UHFFFAOYSA-N
XLogP2.20
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide (CID 24695598) is 2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1OCc1cn2ccccc2n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is CHARLBGNZBZFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-15(17)12-5-1-2-6-13(12)20-10-11-9-19-8-4-3-7-14(19)18-11/h1-9H,10H2,(H3,16,17).
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide?
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide has a molecular weight of 266.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 24695598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).