1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole

C15H20N2O — CID 3847057

IUPAC1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole
SMILESCc1cc(C)c(OCCCn2ccnc2)c(C)c1
InChIInChI=1S/C15H20N2O/c1-12-9-13(2)15(14(3)10-12)18-8-4-6-17-7-5-16-11-17/h5,7,9-11H,4,6,8H2,1-3H3
InChIKeyNOYBSQMFVVVWJZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.28
Rot. Bonds5

About 1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole

1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole (PubChem CID 3847057) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole
PubChem CID3847057
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole
SMILESCc1cc(C)c(OCCCn2ccnc2)c(C)c1
InChIInChI=1S/C15H20N2O/c1-12-9-13(2)15(14(3)10-12)18-8-4-6-17-7-5-16-11-17/h5,7,9-11H,4,6,8H2,1-3H3
InChIKeyNOYBSQMFVVVWJZ-UHFFFAOYSA-N
XLogP3.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.28
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-[3-(2,4,6-trimethylphenoxy)propyl]imidazole?
The IUPAC name of 1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole (CID 3847057) is 1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole.
What is the SMILES notation for 1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole?
The canonical SMILES for 1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole is Cc1cc(C)c(OCCCn2ccnc2)c(C)c1.
What is the InChIKey of 1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole?
The InChIKey is NOYBSQMFVVVWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-9-13(2)15(14(3)10-12)18-8-4-6-17-7-5-16-11-17/h5,7,9-11H,4,6,8H2,1-3H3.
What are the key properties of 1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole?
1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole has a molecular weight of 244.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4,6-trimethylphenoxy)propyl]imidazole is sourced from PubChem (CID 3847057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).