1-(4-phenoxybutyl)imidazole

C13H16N2O — CID 3682853

IUPAC1-(4-phenoxybutyl)imidazole
SMILESc1ccc(OCCCCn2ccnc2)cc1
InChIInChI=1S/C13H16N2O/c1-2-6-13(7-3-1)16-11-5-4-9-15-10-8-14-12-15/h1-3,6-8,10,12H,4-5,9,11H2
InChIKeyODRFKWKSNLBXIO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.74
Rot. Bonds6

About 1-(4-phenoxybutyl)imidazole

1-(4-phenoxybutyl)imidazole (PubChem CID 3682853) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(4-phenoxybutyl)imidazole.

Molecular Properties

Compound Name1-(4-phenoxybutyl)imidazole
PubChem CID3682853
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(4-phenoxybutyl)imidazole
SMILESc1ccc(OCCCCn2ccnc2)cc1
InChIInChI=1S/C13H16N2O/c1-2-6-13(7-3-1)16-11-5-4-9-15-10-8-14-12-15/h1-3,6-8,10,12H,4-5,9,11H2
InChIKeyODRFKWKSNLBXIO-UHFFFAOYSA-N
XLogP2.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.74
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

Imiloxan
CID 133621
1-(4-Methoxyphenyl)-1H-imidazole
CID 82328
Imiloxan hydrochloride
CID 172975
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-(4-Butoxy-phenyl)-1H-imidazole
CID 11321889
4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine
CID 44341256
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
1-[2-(2-methoxyphenoxy)ethyl]-1H-imidazole
CID 868517
1-[3-(2-chlorophenoxy)propyl]-1H-imidazole
CID 2843672
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxybutyl)imidazole?
The IUPAC name of 1-(4-phenoxybutyl)imidazole (CID 3682853) is 1-(4-phenoxybutyl)imidazole.
What is the SMILES notation for 1-(4-phenoxybutyl)imidazole?
The canonical SMILES for 1-(4-phenoxybutyl)imidazole is c1ccc(OCCCCn2ccnc2)cc1.
What is the InChIKey of 1-(4-phenoxybutyl)imidazole?
The InChIKey is ODRFKWKSNLBXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-6-13(7-3-1)16-11-5-4-9-15-10-8-14-12-15/h1-3,6-8,10,12H,4-5,9,11H2.
What are the key properties of 1-(4-phenoxybutyl)imidazole?
1-(4-phenoxybutyl)imidazole has a molecular weight of 216.28 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxybutyl)imidazole is sourced from PubChem (CID 3682853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).