4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol

C18H11Cl2N3O2 — CID 135501452

IUPAC4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1c(-c2ccco2)nc2cc(Cl)ccn12
InChIInChI=1S/C18H11Cl2N3O2/c19-12-3-4-14(24)11(8-12)10-21-18-17(15-2-1-7-25-15)22-16-9-13(20)5-6-23(16)18/h1-10,24H/b21-10+
InChIKeyAOMHYVJDMBHEJK-UFFVCSGVSA-N
MW372.21 g/mol
LogP5.36
Rot. Bonds3

About 4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol

4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol (PubChem CID 135501452) has the molecular formula C18H11Cl2N3O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
PubChem CID135501452
Molecular FormulaC18H11Cl2N3O2
Molecular Weight372.21 g/mol
Exact Mass371.02
IUPAC Name4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1c(-c2ccco2)nc2cc(Cl)ccn12
InChIInChI=1S/C18H11Cl2N3O2/c19-12-3-4-14(24)11(8-12)10-21-18-17(15-2-1-7-25-15)22-16-9-13(20)5-6-23(16)18/h1-10,24H/b21-10+
InChIKeyAOMHYVJDMBHEJK-UFFVCSGVSA-N
XLogP5.36
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.21
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol (CID 135501452) is 4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/c1c(-c2ccco2)nc2cc(Cl)ccn12.
What is the InChIKey of 4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The InChIKey is AOMHYVJDMBHEJK-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H11Cl2N3O2/c19-12-3-4-14(24)11(8-12)10-21-18-17(15-2-1-7-25-15)22-16-9-13(20)5-6-23(16)18/h1-10,24H/b21-10+.
What are the key properties of 4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol has a molecular weight of 372.21 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[7-chloro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol is sourced from PubChem (CID 135501452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).