1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride

C16H23ClN2O — CID 2851015

IUPAC1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
SMILESCc1cc(C)c(OCCCCn2ccnc2)c(C)c1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-13-10-14(2)16(15(3)11-13)19-9-5-4-7-18-8-6-17-12-18;/h6,8,10-12H,4-5,7,9H2,1-3H3;1H
InChIKeyCXJWABRXAXYUMN-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.09
Rot. Bonds6

About 1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride

1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride (PubChem CID 2851015) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
PubChem CID2851015
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
SMILESCc1cc(C)c(OCCCCn2ccnc2)c(C)c1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-13-10-14(2)16(15(3)11-13)19-9-5-4-7-18-8-6-17-12-18;/h6,8,10-12H,4-5,7,9H2,1-3H3;1H
InChIKeyCXJWABRXAXYUMN-UHFFFAOYSA-N
XLogP4.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.09
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-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
CID 2850907
1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole
CID 2843850
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429
1-[4-(2,6-dimethylphenoxy)butyl]imidazole;oxalic acid
CID 2843619
4-(2-imidazol-1-ylethoxy)-3,5-dimethylbenzoic acid
CID 28932799
[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
CID 60878467
1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole
CID 67807379
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
5-bromo-2-(3-imidazol-1-ylpropoxy)-3-methylaniline
CID 79842991
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride?
The IUPAC name of 1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride (CID 2851015) is 1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride?
The canonical SMILES for 1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride is Cc1cc(C)c(OCCCCn2ccnc2)c(C)c1.Cl.
What is the InChIKey of 1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride?
The InChIKey is CXJWABRXAXYUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-13-10-14(2)16(15(3)11-13)19-9-5-4-7-18-8-6-17-12-18;/h6,8,10-12H,4-5,7,9H2,1-3H3;1H.
What are the key properties of 1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride?
1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride is sourced from PubChem (CID 2851015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).