2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine

C15H13ClN2O — CID 170746842

IUPAC2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(OCc2cn3ccccc3n2)c(Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-11-5-6-14(13(16)8-11)19-10-12-9-18-7-3-2-4-15(18)17-12/h2-9H,10H2,1H3
InChIKeyWWMHQCHFPKAUAE-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.88
Rot. Bonds3

About 2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine

2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine (PubChem CID 170746842) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
PubChem CID170746842
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(OCc2cn3ccccc3n2)c(Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-11-5-6-14(13(16)8-11)19-10-12-9-18-7-3-2-4-15(18)17-12/h2-9H,10H2,1H3
InChIKeyWWMHQCHFPKAUAE-UHFFFAOYSA-N
XLogP3.88
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine (CID 170746842) is 2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine is Cc1ccc(OCc2cn3ccccc3n2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine?
The InChIKey is WWMHQCHFPKAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-11-5-6-14(13(16)8-11)19-10-12-9-18-7-3-2-4-15(18)17-12/h2-9H,10H2,1H3.
What are the key properties of 2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine?
2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine has a molecular weight of 272.74 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 170746842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).