2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine

C17H18ClN3 — CID 79280361

IUPAC2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2CCc1ccccc1
InChIInChI=1S/C17H18ClN3/c1-12-10-15-17(19-11-12)21(16(20-15)13(2)18)9-8-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyQLKUAFZGGBKEHB-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.28
Rot. Bonds4

About 2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine

2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine (PubChem CID 79280361) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine
PubChem CID79280361
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2CCc1ccccc1
InChIInChI=1S/C17H18ClN3/c1-12-10-15-17(19-11-12)21(16(20-15)13(2)18)9-8-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyQLKUAFZGGBKEHB-UHFFFAOYSA-N
XLogP4.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.28
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 2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine (CID 79280361) is 2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(C(C)Cl)n2CCc1ccccc1.
What is the InChIKey of 2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine?
The InChIKey is QLKUAFZGGBKEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-12-10-15-17(19-11-12)21(16(20-15)13(2)18)9-8-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine has a molecular weight of 299.81 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79280361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).