3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine

C17H17ClN2O — CID 39133040

IUPAC3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine
SMILESCCOc1ccccc1-c1nc2cc(C)ccn2c1CCl
InChIInChI=1S/C17H17ClN2O/c1-3-21-15-7-5-4-6-13(15)17-14(11-18)20-9-8-12(2)10-16(20)19-17/h4-10H,3,11H2,1-2H3
InChIKeyHDTGYLZUZLAKQH-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.45
Rot. Bonds4

About 3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine

3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine (PubChem CID 39133040) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine
PubChem CID39133040
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine
SMILESCCOc1ccccc1-c1nc2cc(C)ccn2c1CCl
InChIInChI=1S/C17H17ClN2O/c1-3-21-15-7-5-4-6-13(15)17-14(11-18)20-9-8-12(2)10-16(20)19-17/h4-10H,3,11H2,1-2H3
InChIKeyHDTGYLZUZLAKQH-UHFFFAOYSA-N
XLogP4.45
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-2-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133026
[2-(2-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82060637
N-[2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]butanamide
CID 42693874
1-[2-(2-ethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029405
2-[3-[(2-methoxyphenyl)methylamino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 24821425
2,2-dichloro-N-[2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
CID 42693842
2-(4-bromophenyl)-3-ethyl-7-methylimidazo[1,2-a]pyridine
CID 100820877
6-bromo-2-(2-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 79041346
3-[6-chloro-2-(2-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195789
4-(2-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082547
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
3-(2-ethoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyridine
CID 114933738

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine (CID 39133040) is 3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine is CCOc1ccccc1-c1nc2cc(C)ccn2c1CCl.
What is the InChIKey of 3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
The InChIKey is HDTGYLZUZLAKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-3-21-15-7-5-4-6-13(15)17-14(11-18)20-9-8-12(2)10-16(20)19-17/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine has a molecular weight of 300.79 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 39133040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).