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

C20H15BrClN3O — CID 24821711

IUPAC2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(Br)cn2c1NCc1cccc(Cl)c1
InChIInChI=1S/C20H15BrClN3O/c21-14-8-9-18-24-19(16-6-1-2-7-17(16)26)20(25(18)12-14)23-11-13-4-3-5-15(22)10-13/h1-10,12,23,26H,11H2
InChIKeySJIGPLBKGCTULD-UHFFFAOYSA-N
MW428.72 g/mol
LogP5.73
Rot. Bonds4

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

2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 24821711) has the molecular formula C20H15BrClN3O and a molecular weight of 428.72 g/mol. Its IUPAC name is 2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID24821711
Molecular FormulaC20H15BrClN3O
Molecular Weight428.72 g/mol
Exact Mass427.01
IUPAC Name2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(Br)cn2c1NCc1cccc(Cl)c1
InChIInChI=1S/C20H15BrClN3O/c21-14-8-9-18-24-19(16-6-1-2-7-17(16)26)20(25(18)12-14)23-11-13-4-3-5-15(22)10-13/h1-10,12,23,26H,11H2
InChIKeySJIGPLBKGCTULD-UHFFFAOYSA-N
XLogP5.73
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.72
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol (CID 24821711) is 2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol is Oc1ccccc1-c1nc2ccc(Br)cn2c1NCc1cccc(Cl)c1.
What is the InChIKey of 2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is SJIGPLBKGCTULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClN3O/c21-14-8-9-18-24-19(16-6-1-2-7-17(16)26)20(25(18)12-14)23-11-13-4-3-5-15(22)10-13/h1-10,12,23,26H,11H2.
What are the key properties of 2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 428.72 g/mol, XLogP of 5.73, 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-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 24821711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).