1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride

C18H27ClN2O3 — CID 18921836

IUPAC1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride
SMILESCOc1cc(COCCCCCCn2ccnc2)cc(OC)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-21-17-11-16(12-18(13-17)22-2)14-23-10-6-4-3-5-8-20-9-7-19-15-20;/h7,9,11-13,15H,3-6,8,10,14H2,1-2H3;1H
InChIKeyWCGHMZVBIQPAAM-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.10
Rot. Bonds11

About 1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride

1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride (PubChem CID 18921836) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride
PubChem CID18921836
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride
SMILESCOc1cc(COCCCCCCn2ccnc2)cc(OC)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-21-17-11-16(12-18(13-17)22-2)14-23-10-6-4-3-5-8-20-9-7-19-15-20;/h7,9,11-13,15H,3-6,8,10,14H2,1-2H3;1H
InChIKeyWCGHMZVBIQPAAM-UHFFFAOYSA-N
XLogP4.10
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.10
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

1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28832043
1-(13-ethoxytridecyl)imidazole
CID 145255635
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide
CID 103567567
1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
CID 126578367
3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17155515
1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
CID 2850907
1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
CID 2851015
1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride
CID 67808921

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride?
The IUPAC name of 1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride (CID 18921836) is 1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride?
The canonical SMILES for 1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride is COc1cc(COCCCCCCn2ccnc2)cc(OC)c1.Cl.
What is the InChIKey of 1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride?
The InChIKey is WCGHMZVBIQPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-21-17-11-16(12-18(13-17)22-2)14-23-10-6-4-3-5-8-20-9-7-19-15-20;/h7,9,11-13,15H,3-6,8,10,14H2,1-2H3;1H.
What are the key properties of 1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride?
1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 4.10, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride is sourced from PubChem (CID 18921836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).