1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole

C23H27FN2O — CID 170562612

IUPAC1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole
SMILESCC(C)(C)c1ccc(C(CCOc2ccc(F)cc2)Cn2ccnc2)cc1
InChIInChI=1S/C23H27FN2O/c1-23(2,3)20-6-4-18(5-7-20)19(16-26-14-13-25-17-26)12-15-27-22-10-8-21(24)9-11-22/h4-11,13-14,17,19H,12,15-16H2,1-3H3
InChIKeyOJQAFIIVZTXPIE-UHFFFAOYSA-N
MW366.48 g/mol
LogP5.57
Rot. Bonds7

About 1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole

1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole (PubChem CID 170562612) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole
PubChem CID170562612
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole
SMILESCC(C)(C)c1ccc(C(CCOc2ccc(F)cc2)Cn2ccnc2)cc1
InChIInChI=1S/C23H27FN2O/c1-23(2,3)20-6-4-18(5-7-20)19(16-26-14-13-25-17-26)12-15-27-22-10-8-21(24)9-11-22/h4-11,13-14,17,19H,12,15-16H2,1-3H3
InChIKeyOJQAFIIVZTXPIE-UHFFFAOYSA-N
XLogP5.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.48
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)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-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole
CID 6333710
1-[4-(4-fluorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-ol
CID 70526340
1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972
4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138081
N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749787
1-[3-(4-tert-butylphenyl)sulfanyl-2-chloropropyl]imidazole
CID 23311306
1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
CID 18349625
1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole
CID 24895544
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole (CID 170562612) is 1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole is CC(C)(C)c1ccc(C(CCOc2ccc(F)cc2)Cn2ccnc2)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole?
The InChIKey is OJQAFIIVZTXPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-23(2,3)20-6-4-18(5-7-20)19(16-26-14-13-25-17-26)12-15-27-22-10-8-21(24)9-11-22/h4-11,13-14,17,19H,12,15-16H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole?
1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole has a molecular weight of 366.48 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole is sourced from PubChem (CID 170562612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).