2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol

C20H15BrFN3O — CID 24821712

IUPAC2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(Br)cn2c1NCc1ccc(F)cc1
InChIInChI=1S/C20H15BrFN3O/c21-14-7-10-18-24-19(16-3-1-2-4-17(16)26)20(25(18)12-14)23-11-13-5-8-15(22)9-6-13/h1-10,12,23,26H,11H2
InChIKeyWMRHTLFJVRFXOA-UHFFFAOYSA-N
MW412.26 g/mol
LogP5.22
Rot. Bonds4

About 2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol

2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 24821712) has the molecular formula C20H15BrFN3O and a molecular weight of 412.26 g/mol. Its IUPAC name is 2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID24821712
Molecular FormulaC20H15BrFN3O
Molecular Weight412.26 g/mol
Exact Mass411.04
IUPAC Name2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(Br)cn2c1NCc1ccc(F)cc1
InChIInChI=1S/C20H15BrFN3O/c21-14-7-10-18-24-19(16-3-1-2-4-17(16)26)20(25(18)12-14)23-11-13-5-8-15(22)9-6-13/h1-10,12,23,26H,11H2
InChIKeyWMRHTLFJVRFXOA-UHFFFAOYSA-N
XLogP5.22
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.26
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]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 2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol (CID 24821712) is 2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol is Oc1ccccc1-c1nc2ccc(Br)cn2c1NCc1ccc(F)cc1.
What is the InChIKey of 2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is WMRHTLFJVRFXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFN3O/c21-14-7-10-18-24-19(16-3-1-2-4-17(16)26)20(25(18)12-14)23-11-13-5-8-15(22)9-6-13/h1-10,12,23,26H,11H2.
What are the key properties of 2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 412.26 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 24821712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).