1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole

C17H23ClN2O — CID 2853905

IUPAC1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole
SMILESCc1cc(OCCCCCCn2ccnc2)cc(C)c1Cl
InChIInChI=1S/C17H23ClN2O/c1-14-11-16(12-15(2)17(14)18)21-10-6-4-3-5-8-20-9-7-19-13-20/h7,9,11-13H,3-6,8,10H2,1-2H3
InChIKeyFEWIQOGQTZHAHC-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.79
Rot. Bonds8

About 1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole

1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole (PubChem CID 2853905) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole.

Molecular Properties

Compound Name1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole
PubChem CID2853905
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole
SMILESCc1cc(OCCCCCCn2ccnc2)cc(C)c1Cl
InChIInChI=1S/C17H23ClN2O/c1-14-11-16(12-15(2)17(14)18)21-10-6-4-3-5-8-20-9-7-19-13-20/h7,9,11-13H,3-6,8,10H2,1-2H3
InChIKeyFEWIQOGQTZHAHC-UHFFFAOYSA-N
XLogP4.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole?
The IUPAC name of 1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole (CID 2853905) is 1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole.
What is the SMILES notation for 1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole?
The canonical SMILES for 1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole is Cc1cc(OCCCCCCn2ccnc2)cc(C)c1Cl.
What is the InChIKey of 1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole?
The InChIKey is FEWIQOGQTZHAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-14-11-16(12-15(2)17(14)18)21-10-6-4-3-5-8-20-9-7-19-13-20/h7,9,11-13H,3-6,8,10H2,1-2H3.
What are the key properties of 1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole?
1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole has a molecular weight of 306.84 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chloro-3,5-dimethylphenoxy)hexyl]imidazole is sourced from PubChem (CID 2853905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).