1-[4-(3-tert-butylphenoxy)butyl]imidazole

C17H24N2O — CID 2996393

IUPAC1-[4-(3-tert-butylphenoxy)butyl]imidazole
SMILESCC(C)(C)c1cccc(OCCCCn2ccnc2)c1
InChIInChI=1S/C17H24N2O/c1-17(2,3)15-7-6-8-16(13-15)20-12-5-4-10-19-11-9-18-14-19/h6-9,11,13-14H,4-5,10,12H2,1-3H3
InChIKeyFQPPHCUAYQIHPH-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.04
Rot. Bonds6

About 1-[4-(3-tert-butylphenoxy)butyl]imidazole

1-[4-(3-tert-butylphenoxy)butyl]imidazole (PubChem CID 2996393) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-(3-tert-butylphenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(3-tert-butylphenoxy)butyl]imidazole
PubChem CID2996393
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[4-(3-tert-butylphenoxy)butyl]imidazole
SMILESCC(C)(C)c1cccc(OCCCCn2ccnc2)c1
InChIInChI=1S/C17H24N2O/c1-17(2,3)15-7-6-8-16(13-15)20-12-5-4-10-19-11-9-18-14-19/h6-9,11,13-14H,4-5,10,12H2,1-3H3
InChIKeyFQPPHCUAYQIHPH-UHFFFAOYSA-N
XLogP4.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(3-tert-butylphenoxy)butyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
6-[3-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoic acid
CID 14327319
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
ethyl 3-(3-imidazol-1-ylpropoxy)benzoate
CID 139771562
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
3-imidazol-1-yl-N-[(3-pentoxyphenyl)methyl]propan-1-amine
CID 54848865
3-imidazol-1-ylpropyl 2-(3-aminophenoxy)acetate
CID 61493245
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butylphenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(3-tert-butylphenoxy)butyl]imidazole (CID 2996393) is 1-[4-(3-tert-butylphenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(3-tert-butylphenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(3-tert-butylphenoxy)butyl]imidazole is CC(C)(C)c1cccc(OCCCCn2ccnc2)c1.
What is the InChIKey of 1-[4-(3-tert-butylphenoxy)butyl]imidazole?
The InChIKey is FQPPHCUAYQIHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,3)15-7-6-8-16(13-15)20-12-5-4-10-19-11-9-18-14-19/h6-9,11,13-14H,4-5,10,12H2,1-3H3.
What are the key properties of 1-[4-(3-tert-butylphenoxy)butyl]imidazole?
1-[4-(3-tert-butylphenoxy)butyl]imidazole has a molecular weight of 272.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butylphenoxy)butyl]imidazole is sourced from PubChem (CID 2996393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).