3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine

C16H16ClN3O — CID 117159959

IUPAC3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
SMILESCOCCc1nc2cccnc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H16ClN3O/c1-21-10-8-15-19-14-7-4-9-18-16(14)20(15)11-12-5-2-3-6-13(12)17/h2-7,9H,8,10-11H2,1H3
InChIKeyIAJWLHLEECGNSH-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.32
Rot. Bonds5

About 3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine

3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine (PubChem CID 117159959) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
PubChem CID117159959
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
SMILESCOCCc1nc2cccnc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H16ClN3O/c1-21-10-8-15-19-14-7-4-9-18-16(14)20(15)11-12-5-2-3-6-13(12)17/h2-7,9H,8,10-11H2,1H3
InChIKeyIAJWLHLEECGNSH-UHFFFAOYSA-N
XLogP3.32
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117159702
3-[(2-chlorophenyl)methyl]-2-ethylimidazo[4,5-b]pyridine
CID 20777187
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117165163
3-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159967
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117165274
2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
CID 117159722
2-(2-methoxyethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117159839
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
2-(chloromethyl)-3-[(2-chlorophenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine
CID 115322536
2-ethyl-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117165576

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine (CID 117159959) is 3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine is COCCc1nc2cccnc2n1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The InChIKey is IAJWLHLEECGNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-21-10-8-15-19-14-7-4-9-18-16(14)20(15)11-12-5-2-3-6-13(12)17/h2-7,9H,8,10-11H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine?
3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine has a molecular weight of 301.78 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117159959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).