4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine

C17H16ClN3O2 — CID 138471334

IUPAC4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine
SMILESCc1nccn1-c1cc(OCCOc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C17H16ClN3O2/c1-13-19-8-9-21(13)17-12-16(6-7-20-17)23-11-10-22-15-4-2-14(18)3-5-15/h2-9,12H,10-11H2,1H3
InChIKeyDGGCLEBUSVGJCH-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.69
Rot. Bonds6

About 4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine

4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine (PubChem CID 138471334) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine
PubChem CID138471334
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine
SMILESCc1nccn1-c1cc(OCCOc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C17H16ClN3O2/c1-13-19-8-9-21(13)17-12-16(6-7-20-17)23-11-10-22-15-4-2-14(18)3-5-15/h2-9,12H,10-11H2,1H3
InChIKeyDGGCLEBUSVGJCH-UHFFFAOYSA-N
XLogP3.69
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-Chlorophenoxy)-6-methyl-2-(2-pyridyl)pyrimidine
CID 2725932
1-(4-Chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2850208
3-[4-(2-Chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine
CID 16732438
3-[4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine
CID 16732439
5-{3-[2-(4-Chlorophenoxy)ethyl]imidazol-4-YL}-N,N-dimethylpyrimidin-2-amine
CID 46980382
4-(2-(4-bromo-2-fluorophenoxy) ethoxy)-2-(2-methyl-1H-imidazol-1-yl)pyridine
CID 138471296
1-(3-(2-(4-chloro-2-fluorophenoxy) ethoxy)phenyl)-2-methyl-1H-imidazole
CID 138471302
4-(2-(4-chloro-2-fluorophenoxy) ethoxy)-2-(2-methyl-1H-imidazol-1-yl)pyridine
CID 138471392
1-(3-(2-(4-chloro-2-fluorophenoxy) ethoxy)phenyl)-2-cyclopropyl-1H-imidazole
CID 138471445
3-chloro-4-(2-((2-(2-methyl-1H-imidazol-1-yl)pyridin-4-yl)oxy)ethoxy) benzonitrile
CID 138471433
6-Chloro-2-ethyl-3-(4-phenoxybutyl)imidazo[4,5-b]pyridine
CID 122190755
1-(4-Chlorophenoxy)-4-[4-(2-pyridyl)-1-piperazinyl]-2-butanol dihydrochloride
CID 14422863

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine?
The IUPAC name of 4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine (CID 138471334) is 4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine?
The canonical SMILES for 4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine is Cc1nccn1-c1cc(OCCOc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine?
The InChIKey is DGGCLEBUSVGJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-13-19-8-9-21(13)17-12-16(6-7-20-17)23-11-10-22-15-4-2-14(18)3-5-15/h2-9,12H,10-11H2,1H3.
What are the key properties of 4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine?
4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine has a molecular weight of 329.79 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)ethoxy]-2-(2-methylimidazol-1-yl)pyridine is sourced from PubChem (CID 138471334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).