2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine

C16H16ClN3O — CID 79274031

IUPAC2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(CCCl)nc3cccnc32)cc1C
InChIInChI=1S/C16H16ClN3O/c1-11-10-12(5-6-14(11)21-2)20-15(7-8-17)19-13-4-3-9-18-16(13)20/h3-6,9-10H,7-8H2,1-2H3
InChIKeyFOMHZMXIMRXGEB-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.52
Rot. Bonds4

About 2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine (PubChem CID 79274031) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine
PubChem CID79274031
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(CCCl)nc3cccnc32)cc1C
InChIInChI=1S/C16H16ClN3O/c1-11-10-12(5-6-14(11)21-2)20-15(7-8-17)19-13-4-3-9-18-16(13)20/h3-6,9-10H,7-8H2,1-2H3
InChIKeyFOMHZMXIMRXGEB-UHFFFAOYSA-N
XLogP3.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine (CID 79274031) is 2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine is COc1ccc(-n2c(CCCl)nc3cccnc32)cc1C.
What is the InChIKey of 2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is FOMHZMXIMRXGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-11-10-12(5-6-14(11)21-2)20-15(7-8-17)19-13-4-3-9-18-16(13)20/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 301.78 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79274031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).