1-[4-(4-ethoxyphenoxy)butyl]imidazole

C15H20N2O2 — CID 2923316

IUPAC1-[4-(4-ethoxyphenoxy)butyl]imidazole
SMILESCCOc1ccc(OCCCCn2ccnc2)cc1
InChIInChI=1S/C15H20N2O2/c1-2-18-14-5-7-15(8-6-14)19-12-4-3-10-17-11-9-16-13-17/h5-9,11,13H,2-4,10,12H2,1H3
InChIKeyXORCBSRZZSCGTN-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.14
Rot. Bonds8

About 1-[4-(4-ethoxyphenoxy)butyl]imidazole

1-[4-(4-ethoxyphenoxy)butyl]imidazole (PubChem CID 2923316) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenoxy)butyl]imidazole
PubChem CID2923316
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[4-(4-ethoxyphenoxy)butyl]imidazole
SMILESCCOc1ccc(OCCCCn2ccnc2)cc1
InChIInChI=1S/C15H20N2O2/c1-2-18-14-5-7-15(8-6-14)19-12-4-3-10-17-11-9-16-13-17/h5-9,11,13H,2-4,10,12H2,1H3
InChIKeyXORCBSRZZSCGTN-UHFFFAOYSA-N
XLogP3.14
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-(4-ethoxyphenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(4-ethoxyphenoxy)butyl]imidazole (CID 2923316) is 1-[4-(4-ethoxyphenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(4-ethoxyphenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(4-ethoxyphenoxy)butyl]imidazole is CCOc1ccc(OCCCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenoxy)butyl]imidazole?
The InChIKey is XORCBSRZZSCGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-18-14-5-7-15(8-6-14)19-12-4-3-10-17-11-9-16-13-17/h5-9,11,13H,2-4,10,12H2,1H3.
What are the key properties of 1-[4-(4-ethoxyphenoxy)butyl]imidazole?
1-[4-(4-ethoxyphenoxy)butyl]imidazole has a molecular weight of 260.34 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenoxy)butyl]imidazole is sourced from PubChem (CID 2923316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).