1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole

C16H21ClN2O2 — CID 1360

IUPAC1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole
SMILESCOc1ccc(OCCCCCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-20-14-6-7-16(15(17)12-14)21-11-5-3-2-4-9-19-10-8-18-13-19/h6-8,10,12-13H,2-5,9,11H2,1H3
InChIKeyUKVVEWLDHJDSNJ-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.18
Rot. Bonds9

About 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole

1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole (PubChem CID 1360) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole.

Molecular Properties

Compound Name1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole
PubChem CID1360
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole
SMILESCOc1ccc(OCCCCCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-20-14-6-7-16(15(17)12-14)21-11-5-3-2-4-9-19-10-8-18-13-19/h6-8,10,12-13H,2-5,9,11H2,1H3
InChIKeyUKVVEWLDHJDSNJ-UHFFFAOYSA-N
XLogP4.18
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.18
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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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole?
The IUPAC name of 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole (CID 1360) is 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole.
What is the SMILES notation for 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole?
The canonical SMILES for 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole is COc1ccc(OCCCCCCn2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole?
The InChIKey is UKVVEWLDHJDSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-20-14-6-7-16(15(17)12-14)21-11-5-3-2-4-9-19-10-8-18-13-19/h6-8,10,12-13H,2-5,9,11H2,1H3.
What are the key properties of 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole?
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole has a molecular weight of 308.81 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazole is sourced from PubChem (CID 1360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).