1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride

C13H17ClN2O2 — CID 24761416

IUPAC1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride
SMILESCOc1ccc(OCCCn2ccnc2)cc1.Cl
InChIInChI=1S/C13H16N2O2.ClH/c1-16-12-3-5-13(6-4-12)17-10-2-8-15-9-7-14-11-15;/h3-7,9,11H,2,8,10H2,1H3;1H
InChIKeyMLWOAYAGNOYZAL-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.78
Rot. Bonds6

About 1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride

1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride (PubChem CID 24761416) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride
PubChem CID24761416
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride
SMILESCOc1ccc(OCCCn2ccnc2)cc1.Cl
InChIInChI=1S/C13H16N2O2.ClH/c1-16-12-3-5-13(6-4-12)17-10-2-8-15-9-7-14-11-15;/h3-7,9,11H,2,8,10H2,1H3;1H
InChIKeyMLWOAYAGNOYZAL-UHFFFAOYSA-N
XLogP2.78
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Imiloxan
CID 133621
Imiloxan hydrochloride
CID 172975
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-methylphenoxy)ethyl]-1H-imidazole
CID 868346
1-[2-(4-Methoxyphenoxy)ethyl]imidazole
CID 868397
1-[2-(2-methoxyphenoxy)ethyl]-1H-imidazole
CID 868517
1-[3-(2-chlorophenoxy)propyl]-1H-imidazole
CID 2843672
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-[5-(4-Ethylphenoxy)pentyl]imidazole
CID 2852313
1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348
1-[6-(2-Chloro-4-methyxyphenoxy)-hexyl]-imidazole
CID 1360

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride?
The IUPAC name of 1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride (CID 24761416) is 1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride?
The canonical SMILES for 1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride is COc1ccc(OCCCn2ccnc2)cc1.Cl.
What is the InChIKey of 1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride?
The InChIKey is MLWOAYAGNOYZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.ClH/c1-16-12-3-5-13(6-4-12)17-10-2-8-15-9-7-14-11-15;/h3-7,9,11H,2,8,10H2,1H3;1H.
What are the key properties of 1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride?
1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride has a molecular weight of 268.74 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenoxy)propyl]imidazole;hydrochloride is sourced from PubChem (CID 24761416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).