4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol

C18H12ClN3O2 — CID 135598856

IUPAC4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
SMILESOc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn23)cc1
InChIInChI=1S/C18H12ClN3O2/c19-13-5-8-16-21-17(15-2-1-9-24-15)18(22(16)11-13)20-10-12-3-6-14(23)7-4-12/h1-11,23H/b20-10+
InChIKeyGYVCSDJZLBRLNA-KEBDBYFISA-N
MW337.77 g/mol
LogP4.70
Rot. Bonds3

About 4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol

4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol (PubChem CID 135598856) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
PubChem CID135598856
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
SMILESOc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn23)cc1
InChIInChI=1S/C18H12ClN3O2/c19-13-5-8-16-21-17(15-2-1-9-24-15)18(22(16)11-13)20-10-12-3-6-14(23)7-4-12/h1-11,23H/b20-10+
InChIKeyGYVCSDJZLBRLNA-KEBDBYFISA-N
XLogP4.70
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The IUPAC name of 4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol (CID 135598856) is 4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol.
What is the SMILES notation for 4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The canonical SMILES for 4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol is Oc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn23)cc1.
What is the InChIKey of 4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The InChIKey is GYVCSDJZLBRLNA-KEBDBYFISA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-13-5-8-16-21-17(15-2-1-9-24-15)18(22(16)11-13)20-10-12-3-6-14(23)7-4-12/h1-11,23H/b20-10+.
What are the key properties of 4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol has a molecular weight of 337.77 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[6-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol is sourced from PubChem (CID 135598856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).