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

C16H16ClN3 — CID 79289928

IUPAC2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cccnc2n1CCc1ccccc1
InChIInChI=1S/C16H16ClN3/c1-12(17)15-19-14-8-5-10-18-16(14)20(15)11-9-13-6-3-2-4-7-13/h2-8,10,12H,9,11H2,1H3
InChIKeySBEGQRAIHOTBKO-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.97
Rot. Bonds4

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

2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine (PubChem CID 79289928) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine
PubChem CID79289928
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cccnc2n1CCc1ccccc1
InChIInChI=1S/C16H16ClN3/c1-12(17)15-19-14-8-5-10-18-16(14)20(15)11-9-13-6-3-2-4-7-13/h2-8,10,12H,9,11H2,1H3
InChIKeySBEGQRAIHOTBKO-UHFFFAOYSA-N
XLogP3.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.97
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-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274501
2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79280361
2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine
CID 79294318
2-(1-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294964
2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79294151
2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79295037
2-(1-chloroethyl)-5-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine
CID 81141754
2-(1-chloroethyl)-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294750
2-(1-chloroethyl)-3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridine
CID 79274516
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole
CID 63545217
3-[2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,1-dimethylurea
CID 83114805

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine (CID 79289928) is 2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine is CC(Cl)c1nc2cccnc2n1CCc1ccccc1.
What is the InChIKey of 2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine?
The InChIKey is SBEGQRAIHOTBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-12(17)15-19-14-8-5-10-18-16(14)20(15)11-9-13-6-3-2-4-7-13/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine has a molecular weight of 285.78 g/mol, XLogP of 3.97, 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-(2-phenylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79289928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).