1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride

C16H22Cl2N2O — CID 18921924

IUPAC1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
SMILESCc1cc(Cl)ccc1OCCCCCCn1ccnc1.Cl
InChIInChI=1S/C16H21ClN2O.ClH/c1-14-12-15(17)6-7-16(14)20-11-5-3-2-4-9-19-10-8-18-13-19;/h6-8,10,12-13H,2-5,9,11H2,1H3;1H
InChIKeySXBRISVYLWKEQQ-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.91
Rot. Bonds8

About 1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride

1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride (PubChem CID 18921924) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
PubChem CID18921924
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
SMILESCc1cc(Cl)ccc1OCCCCCCn1ccnc1.Cl
InChIInChI=1S/C16H21ClN2O.ClH/c1-14-12-15(17)6-7-16(14)20-11-5-3-2-4-9-19-10-8-18-13-19;/h6-8,10,12-13H,2-5,9,11H2,1H3;1H
InChIKeySXBRISVYLWKEQQ-UHFFFAOYSA-N
XLogP4.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.91
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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Related Compounds

1-[3-(4-iodo-2-methylphenoxy)propyl]imidazole
CID 2995325
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
CID 19378837
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
4-(3-imidazol-1-ylpropoxy)-3-methylbenzenesulfonyl chloride
CID 82917400
[4-(3-imidazol-1-ylpropoxy)-3-methylphenyl]boronic acid
CID 63216731
1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
CID 2850907
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429
1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
CID 2851015
1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole
CID 2843850
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride?
The IUPAC name of 1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride (CID 18921924) is 1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride?
The canonical SMILES for 1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride is Cc1cc(Cl)ccc1OCCCCCCn1ccnc1.Cl.
What is the InChIKey of 1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride?
The InChIKey is SXBRISVYLWKEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O.ClH/c1-14-12-15(17)6-7-16(14)20-11-5-3-2-4-9-19-10-8-18-13-19;/h6-8,10,12-13H,2-5,9,11H2,1H3;1H.
What are the key properties of 1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride?
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride has a molecular weight of 329.27 g/mol, XLogP of 4.91, 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-2-methylphenoxy)hexyl]imidazole;hydrochloride is sourced from PubChem (CID 18921924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).