1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole

C23H28N2O — CID 24895544

IUPAC1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole
SMILESCc1ccc(C(CCn2ccnc2)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O/c1-18-5-7-19(8-6-18)22(13-15-25-16-14-24-17-25)26-21-11-9-20(10-12-21)23(2,3)4/h5-12,14,16-17,22H,13,15H2,1-4H3
InChIKeyZRRUWKALMQNRMO-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.70
Rot. Bonds6

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

1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole (PubChem CID 24895544) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole
PubChem CID24895544
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole
SMILESCc1ccc(C(CCn2ccnc2)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O/c1-18-5-7-19(8-6-18)22(13-15-25-16-14-24-17-25)26-21-11-9-20(10-12-21)23(2,3)4/h5-12,14,16-17,22H,13,15H2,1-4H3
InChIKeyZRRUWKALMQNRMO-UHFFFAOYSA-N
XLogP5.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole
CID 59331953
1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole
CID 3012224
1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole
CID 54189128
1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole
CID 170562612
1-[(4-methylphenoxy)methyl]imidazole
CID 15555875
2-(4-tert-butylphenoxy)-N-[3-(3-imidazol-1-ylpropanoylamino)phenyl]propanamide
CID 166179489
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669271
N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749787
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
CID 3012220
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
The IUPAC name of 1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole (CID 24895544) is 1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole.
What is the SMILES notation for 1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
The canonical SMILES for 1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole is Cc1ccc(C(CCn2ccnc2)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
The InChIKey is ZRRUWKALMQNRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-18-5-7-19(8-6-18)22(13-15-25-16-14-24-17-25)26-21-11-9-20(10-12-21)23(2,3)4/h5-12,14,16-17,22H,13,15H2,1-4H3.
What are the key properties of 1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole has a molecular weight of 348.49 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole is sourced from PubChem (CID 24895544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).