1-[5-(2,5-dimethylphenoxy)pentyl]imidazole

C16H22N2O — CID 4993461

IUPAC1-[5-(2,5-dimethylphenoxy)pentyl]imidazole
SMILESCc1ccc(C)c(OCCCCCn2ccnc2)c1
InChIInChI=1S/C16H22N2O/c1-14-6-7-15(2)16(12-14)19-11-5-3-4-9-18-10-8-17-13-18/h6-8,10,12-13H,3-5,9,11H2,1-2H3
InChIKeyAPBHFMBWFNWTEH-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.75
Rot. Bonds7

About 1-[5-(2,5-dimethylphenoxy)pentyl]imidazole

1-[5-(2,5-dimethylphenoxy)pentyl]imidazole (PubChem CID 4993461) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylphenoxy)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-(2,5-dimethylphenoxy)pentyl]imidazole
PubChem CID4993461
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[5-(2,5-dimethylphenoxy)pentyl]imidazole
SMILESCc1ccc(C)c(OCCCCCn2ccnc2)c1
InChIInChI=1S/C16H22N2O/c1-14-6-7-15(2)16(12-14)19-11-5-3-4-9-18-10-8-17-13-18/h6-8,10,12-13H,3-5,9,11H2,1-2H3
InChIKeyAPBHFMBWFNWTEH-UHFFFAOYSA-N
XLogP3.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylphenoxy)pentyl]imidazole?
The IUPAC name of 1-[5-(2,5-dimethylphenoxy)pentyl]imidazole (CID 4993461) is 1-[5-(2,5-dimethylphenoxy)pentyl]imidazole.
What is the SMILES notation for 1-[5-(2,5-dimethylphenoxy)pentyl]imidazole?
The canonical SMILES for 1-[5-(2,5-dimethylphenoxy)pentyl]imidazole is Cc1ccc(C)c(OCCCCCn2ccnc2)c1.
What is the InChIKey of 1-[5-(2,5-dimethylphenoxy)pentyl]imidazole?
The InChIKey is APBHFMBWFNWTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-14-6-7-15(2)16(12-14)19-11-5-3-4-9-18-10-8-17-13-18/h6-8,10,12-13H,3-5,9,11H2,1-2H3.
What are the key properties of 1-[5-(2,5-dimethylphenoxy)pentyl]imidazole?
1-[5-(2,5-dimethylphenoxy)pentyl]imidazole has a molecular weight of 258.37 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylphenoxy)pentyl]imidazole is sourced from PubChem (CID 4993461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).