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

C17H18ClN3 — CID 79273265

IUPAC2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
SMILESCCC(c1ccccc1)n1c(C(C)Cl)nc2cccnc21
InChIInChI=1S/C17H18ClN3/c1-3-15(13-8-5-4-6-9-13)21-16(12(2)18)20-14-10-7-11-19-17(14)21/h4-12,15H,3H2,1-2H3
InChIKeyTXAJISLWXREKSP-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.73
Rot. Bonds4

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

2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine (PubChem CID 79273265) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
PubChem CID79273265
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
SMILESCCC(c1ccccc1)n1c(C(C)Cl)nc2cccnc21
InChIInChI=1S/C17H18ClN3/c1-3-15(13-8-5-4-6-9-13)21-16(12(2)18)20-14-10-7-11-19-17(14)21/h4-12,15H,3H2,1-2H3
InChIKeyTXAJISLWXREKSP-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
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

2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine
CID 79294169
2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79294324
2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274686
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79295037
2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294510
2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79289928
2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294590
2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79289366
2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine
CID 79273878
2-(1-chloroethyl)-3-(2-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294446
2-(1-chloroethyl)-3-(4-propylphenyl)imidazo[4,5-b]pyridine
CID 79274024

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine (CID 79273265) is 2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine is CCC(c1ccccc1)n1c(C(C)Cl)nc2cccnc21.
What is the InChIKey of 2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is TXAJISLWXREKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-3-15(13-8-5-4-6-9-13)21-16(12(2)18)20-14-10-7-11-19-17(14)21/h4-12,15H,3H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 299.81 g/mol, XLogP of 4.73, 4 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-phenylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79273265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).