4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile

C15H10ClN3O — CID 26218203

IUPAC4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C15H10ClN3O/c16-12-3-6-15-18-13(9-19(15)8-12)10-20-14-4-1-11(7-17)2-5-14/h1-6,8-9H,10H2
InChIKeyXIKQQZAQCRLYQO-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.44
Rot. Bonds3

About 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile

4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile (PubChem CID 26218203) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile
PubChem CID26218203
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C15H10ClN3O/c16-12-3-6-15-18-13(9-19(15)8-12)10-20-14-4-1-11(7-17)2-5-14/h1-6,8-9H,10H2
InChIKeyXIKQQZAQCRLYQO-UHFFFAOYSA-N
XLogP3.44
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile?
The IUPAC name of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile (CID 26218203) is 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile?
The canonical SMILES for 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile is N#Cc1ccc(OCc2cn3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile?
The InChIKey is XIKQQZAQCRLYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-12-3-6-15-18-13(9-19(15)8-12)10-20-14-4-1-11(7-17)2-5-14/h1-6,8-9H,10H2.
What are the key properties of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile?
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile has a molecular weight of 283.72 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzonitrile is sourced from PubChem (CID 26218203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).