1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole

C17H23ClN2O2 — CID 19378833

IUPAC1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
SMILESCOc1ccc(OCCCCCCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-21-15-7-8-17(16(18)13-15)22-12-6-4-2-3-5-10-20-11-9-19-14-20/h7-9,11,13-14H,2-6,10,12H2,1H3
InChIKeyICNGVJMWRNUJLL-UHFFFAOYSA-N
MW322.84 g/mol
LogP4.57
Rot. Bonds10

About 1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole

1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole (PubChem CID 19378833) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole.

Molecular Properties

Compound Name1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
PubChem CID19378833
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
SMILESCOc1ccc(OCCCCCCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-21-15-7-8-17(16(18)13-15)22-12-6-4-2-3-5-10-20-11-9-19-14-20/h7-9,11,13-14H,2-6,10,12H2,1H3
InChIKeyICNGVJMWRNUJLL-UHFFFAOYSA-N
XLogP4.57
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.57
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-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol
CID 18921898
[1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol
CID 19378825
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
CID 82001062
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]pyrrolidine
CID 18921937
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
4-(3-imidazol-1-ylpropoxy)-3-methoxybenzoic acid
CID 61494840
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-butyl-2-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378818

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole?
The IUPAC name of 1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole (CID 19378833) is 1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole.
What is the SMILES notation for 1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole?
The canonical SMILES for 1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole is COc1ccc(OCCCCCCCn2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole?
The InChIKey is ICNGVJMWRNUJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-21-15-7-8-17(16(18)13-15)22-12-6-4-2-3-5-10-20-11-9-19-14-20/h7-9,11,13-14H,2-6,10,12H2,1H3.
What are the key properties of 1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole?
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole has a molecular weight of 322.84 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole is sourced from PubChem (CID 19378833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).