2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine

C16H15Cl2N3 — CID 79274686

IUPAC2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cccnc2n1C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2N3/c1-10(17)15-20-14-7-4-8-19-16(14)21(15)11(2)12-5-3-6-13(18)9-12/h3-11H,1-2H3
InChIKeyVLHRIFGESJRIMO-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.99
Rot. Bonds3

About 2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 79274686) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
PubChem CID79274686
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cccnc2n1C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2N3/c1-10(17)15-20-14-7-4-8-19-16(14)21(15)11(2)12-5-3-6-13(18)9-12/h3-11H,1-2H3
InChIKeyVLHRIFGESJRIMO-UHFFFAOYSA-N
XLogP4.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.99
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)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine (CID 79274686) is 2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine is CC(Cl)c1nc2cccnc2n1C(C)c1cccc(Cl)c1.
What is the InChIKey of 2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is VLHRIFGESJRIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10(17)15-20-14-7-4-8-19-16(14)21(15)11(2)12-5-3-6-13(18)9-12/h3-11H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 320.22 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79274686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).