1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole

C17H24N2O — CID 2850907

IUPAC1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
SMILESCc1cc(C)c(OCCCCCn2ccnc2)c(C)c1
InChIInChI=1S/C17H24N2O/c1-14-11-15(2)17(16(3)12-14)20-10-6-4-5-8-19-9-7-18-13-19/h7,9,11-13H,4-6,8,10H2,1-3H3
InChIKeyIGHGIZWSPOWWJX-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.06
Rot. Bonds7

About 1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole

1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole (PubChem CID 2850907) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
PubChem CID2850907
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
SMILESCc1cc(C)c(OCCCCCn2ccnc2)c(C)c1
InChIInChI=1S/C17H24N2O/c1-14-11-15(2)17(16(3)12-14)20-10-6-4-5-8-19-9-7-18-13-19/h7,9,11-13H,4-6,8,10H2,1-3H3
InChIKeyIGHGIZWSPOWWJX-UHFFFAOYSA-N
XLogP4.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.06
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-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
CID 2851015
1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole
CID 2843850
1-[4-(2,6-dimethylphenoxy)butyl]imidazole;oxalic acid
CID 2843619
1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole
CID 67807379
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429
4-(2-imidazol-1-ylethoxy)-3,5-dimethylbenzoic acid
CID 28932799
[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
CID 60878467
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-(13-ethoxytridecyl)imidazole
CID 145255635
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole?
The IUPAC name of 1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole (CID 2850907) is 1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole.
What is the SMILES notation for 1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole?
The canonical SMILES for 1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole is Cc1cc(C)c(OCCCCCn2ccnc2)c(C)c1.
What is the InChIKey of 1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole?
The InChIKey is IGHGIZWSPOWWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14-11-15(2)17(16(3)12-14)20-10-6-4-5-8-19-9-7-18-13-19/h7,9,11-13H,4-6,8,10H2,1-3H3.
What are the key properties of 1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole?
1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole has a molecular weight of 272.39 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole is sourced from PubChem (CID 2850907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).