1-[5-(2-tert-butylphenoxy)pentyl]imidazole

C18H26N2O — CID 3743685

IUPAC1-[5-(2-tert-butylphenoxy)pentyl]imidazole
SMILESCC(C)(C)c1ccccc1OCCCCCn1ccnc1
InChIInChI=1S/C18H26N2O/c1-18(2,3)16-9-5-6-10-17(16)21-14-8-4-7-12-20-13-11-19-15-20/h5-6,9-11,13,15H,4,7-8,12,14H2,1-3H3
InChIKeyDXTBDOXWSNJKQQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.43
Rot. Bonds7

About 1-[5-(2-tert-butylphenoxy)pentyl]imidazole

1-[5-(2-tert-butylphenoxy)pentyl]imidazole (PubChem CID 3743685) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[5-(2-tert-butylphenoxy)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-(2-tert-butylphenoxy)pentyl]imidazole
PubChem CID3743685
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[5-(2-tert-butylphenoxy)pentyl]imidazole
SMILESCC(C)(C)c1ccccc1OCCCCCn1ccnc1
InChIInChI=1S/C18H26N2O/c1-18(2,3)16-9-5-6-10-17(16)21-14-8-4-7-12-20-13-11-19-15-20/h5-6,9-11,13,15H,4,7-8,12,14H2,1-3H3
InChIKeyDXTBDOXWSNJKQQ-UHFFFAOYSA-N
XLogP4.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.43
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-tert-butylphenoxy)pentyl]imidazole?
The IUPAC name of 1-[5-(2-tert-butylphenoxy)pentyl]imidazole (CID 3743685) is 1-[5-(2-tert-butylphenoxy)pentyl]imidazole.
What is the SMILES notation for 1-[5-(2-tert-butylphenoxy)pentyl]imidazole?
The canonical SMILES for 1-[5-(2-tert-butylphenoxy)pentyl]imidazole is CC(C)(C)c1ccccc1OCCCCCn1ccnc1.
What is the InChIKey of 1-[5-(2-tert-butylphenoxy)pentyl]imidazole?
The InChIKey is DXTBDOXWSNJKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2,3)16-9-5-6-10-17(16)21-14-8-4-7-12-20-13-11-19-15-20/h5-6,9-11,13,15H,4,7-8,12,14H2,1-3H3.
What are the key properties of 1-[5-(2-tert-butylphenoxy)pentyl]imidazole?
1-[5-(2-tert-butylphenoxy)pentyl]imidazole has a molecular weight of 286.42 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-tert-butylphenoxy)pentyl]imidazole is sourced from PubChem (CID 3743685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).