1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole

C16H22N2O — CID 2843850

IUPAC1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole
SMILESCc1cc(C)c(C)c(OCCCCn2ccnc2)c1
InChIInChI=1S/C16H22N2O/c1-13-10-14(2)15(3)16(11-13)19-9-5-4-7-18-8-6-17-12-18/h6,8,10-12H,4-5,7,9H2,1-3H3
InChIKeyVXYDCIGJEJZNIX-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.67
Rot. Bonds6

About 1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole

1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole (PubChem CID 2843850) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole
PubChem CID2843850
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole
SMILESCc1cc(C)c(C)c(OCCCCn2ccnc2)c1
InChIInChI=1S/C16H22N2O/c1-13-10-14(2)15(3)16(11-13)19-9-5-4-7-18-8-6-17-12-18/h6,8,10-12H,4-5,7,9H2,1-3H3
InChIKeyVXYDCIGJEJZNIX-UHFFFAOYSA-N
XLogP3.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.67
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-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
CID 2851015
1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole
CID 67807379
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
2-(3-imidazol-1-ylpropoxy)-4-methylaniline
CID 54961228
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427
1-[3-(4-iodo-2-methylphenoxy)propyl]imidazole
CID 2995325
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
1-[4-(2,6-dimethylphenoxy)butyl]imidazole;oxalic acid
CID 2843619
6-(2,3,5-trimethylphenoxy)hexane-1-thiol
CID 2304768

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole (CID 2843850) is 1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole is Cc1cc(C)c(C)c(OCCCCn2ccnc2)c1.
What is the InChIKey of 1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole?
The InChIKey is VXYDCIGJEJZNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-10-14(2)15(3)16(11-13)19-9-5-4-7-18-8-6-17-12-18/h6,8,10-12H,4-5,7,9H2,1-3H3.
What are the key properties of 1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole?
1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole has a molecular weight of 258.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole is sourced from PubChem (CID 2843850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).