1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole

C17H22N2O — CID 2923427

IUPAC1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
SMILESC=CCc1cc(C)ccc1OCCCCn1ccnc1
InChIInChI=1S/C17H22N2O/c1-3-6-16-13-15(2)7-8-17(16)20-12-5-4-10-19-11-9-18-14-19/h3,7-9,11,13-14H,1,4-6,10,12H2,2H3
InChIKeyJDSHJGVFOVOWRM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.78
Rot. Bonds8

About 1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole

1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole (PubChem CID 2923427) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
PubChem CID2923427
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
SMILESC=CCc1cc(C)ccc1OCCCCn1ccnc1
InChIInChI=1S/C17H22N2O/c1-3-6-16-13-15(2)7-8-17(16)20-12-5-4-10-19-11-9-18-14-19/h3,7-9,11,13-14H,1,4-6,10,12H2,2H3
InChIKeyJDSHJGVFOVOWRM-UHFFFAOYSA-N
XLogP3.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

oxalic acid;1-[4-(2-prop-2-enylphenoxy)butyl]imidazole
CID 2923042
1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine
CID 63326379
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
2-(3-imidazol-1-ylpropoxy)-4-methylaniline
CID 54961228
1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride
CID 2993981
4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine
CID 61069061
1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole
CID 2843850
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21173424
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
CID 2851015
1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
CID 2850907
N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine
CID 2297543

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole (CID 2923427) is 1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole is C=CCc1cc(C)ccc1OCCCCn1ccnc1.
What is the InChIKey of 1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole?
The InChIKey is JDSHJGVFOVOWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-6-16-13-15(2)7-8-17(16)20-12-5-4-10-19-11-9-18-14-19/h3,7-9,11,13-14H,1,4-6,10,12H2,2H3.
What are the key properties of 1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole?
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole has a molecular weight of 270.38 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole is sourced from PubChem (CID 2923427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).