1-[6-(3-methoxyphenoxy)hexyl]imidazole

C16H22N2O2 — CID 3758429

IUPAC1-[6-(3-methoxyphenoxy)hexyl]imidazole
SMILESCOc1cccc(OCCCCCCn2ccnc2)c1
InChIInChI=1S/C16H22N2O2/c1-19-15-7-6-8-16(13-15)20-12-5-3-2-4-10-18-11-9-17-14-18/h6-9,11,13-14H,2-5,10,12H2,1H3
InChIKeyANWNLILJVUFAAA-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.53
Rot. Bonds9

About 1-[6-(3-methoxyphenoxy)hexyl]imidazole

1-[6-(3-methoxyphenoxy)hexyl]imidazole (PubChem CID 3758429) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[6-(3-methoxyphenoxy)hexyl]imidazole.

Molecular Properties

Compound Name1-[6-(3-methoxyphenoxy)hexyl]imidazole
PubChem CID3758429
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[6-(3-methoxyphenoxy)hexyl]imidazole
SMILESCOc1cccc(OCCCCCCn2ccnc2)c1
InChIInChI=1S/C16H22N2O2/c1-19-15-7-6-8-16(13-15)20-12-5-3-2-4-10-18-11-9-17-14-18/h6-9,11,13-14H,2-5,10,12H2,1H3
InChIKeyANWNLILJVUFAAA-UHFFFAOYSA-N
XLogP3.53
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.53
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

1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
1-[4-(3-tert-butylphenoxy)butyl]imidazole
CID 2996393
6-[3-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoic acid
CID 14327319
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride
CID 18921836
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
CID 82001062
ethyl 3-(3-imidazol-1-ylpropoxy)benzoate
CID 139771562

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxyphenoxy)hexyl]imidazole?
The IUPAC name of 1-[6-(3-methoxyphenoxy)hexyl]imidazole (CID 3758429) is 1-[6-(3-methoxyphenoxy)hexyl]imidazole.
What is the SMILES notation for 1-[6-(3-methoxyphenoxy)hexyl]imidazole?
The canonical SMILES for 1-[6-(3-methoxyphenoxy)hexyl]imidazole is COc1cccc(OCCCCCCn2ccnc2)c1.
What is the InChIKey of 1-[6-(3-methoxyphenoxy)hexyl]imidazole?
The InChIKey is ANWNLILJVUFAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-19-15-7-6-8-16(13-15)20-12-5-3-2-4-10-18-11-9-17-14-18/h6-9,11,13-14H,2-5,10,12H2,1H3.
What are the key properties of 1-[6-(3-methoxyphenoxy)hexyl]imidazole?
1-[6-(3-methoxyphenoxy)hexyl]imidazole has a molecular weight of 274.36 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methoxyphenoxy)hexyl]imidazole is sourced from PubChem (CID 3758429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).