7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine

C15H13ClN2O — CID 82064434

IUPAC7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3ccc(CCl)cc3n2)cc1
InChIInChI=1S/C15H13ClN2O/c1-19-13-4-2-12(3-5-13)14-10-18-7-6-11(9-16)8-15(18)17-14/h2-8,10H,9H2,1H3
InChIKeyNSAPFLYVVDXRKU-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.75
Rot. Bonds3

About 7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine

7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 82064434) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
PubChem CID82064434
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3ccc(CCl)cc3n2)cc1
InChIInChI=1S/C15H13ClN2O/c1-19-13-4-2-12(3-5-13)14-10-18-7-6-11(9-16)8-15(18)17-14/h2-8,10H,9H2,1H3
InChIKeyNSAPFLYVVDXRKU-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine (CID 82064434) is 7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine is COc1ccc(-c2cn3ccc(CCl)cc3n2)cc1.
What is the InChIKey of 7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is NSAPFLYVVDXRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-19-13-4-2-12(3-5-13)14-10-18-7-6-11(9-16)8-15(18)17-14/h2-8,10H,9H2,1H3.
What are the key properties of 7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine?
7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 272.74 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 82064434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).