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

C22H19ClN4O — CID 135472463

IUPAC4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
SMILESCN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C22H19ClN4O/c1-26(2)18-9-6-15(7-10-18)21-22(27-12-4-3-5-20(27)25-21)24-14-16-13-17(23)8-11-19(16)28/h3-14,28H,1-2H3/b24-14+
InChIKeyIXFYPBYBSWZKKA-ZVHZXABRSA-N
MW390.87 g/mol
LogP5.18
Rot. Bonds4

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

4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol (PubChem CID 135472463) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
PubChem CID135472463
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
SMILESCN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C22H19ClN4O/c1-26(2)18-9-6-15(7-10-18)21-22(27-12-4-3-5-20(27)25-21)24-14-16-13-17(23)8-11-19(16)28/h3-14,28H,1-2H3/b24-14+
InChIKeyIXFYPBYBSWZKKA-ZVHZXABRSA-N
XLogP5.18
TPSA53.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.18
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)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol (CID 135472463) is 4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol is CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The InChIKey is IXFYPBYBSWZKKA-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H19ClN4O/c1-26(2)18-9-6-15(7-10-18)21-22(27-12-4-3-5-20(27)25-21)24-14-16-13-17(23)8-11-19(16)28/h3-14,28H,1-2H3/b24-14+.
What are the key properties of 4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol has a molecular weight of 390.87 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol is sourced from PubChem (CID 135472463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).