1-[4-(2,5-dimethylphenoxy)butyl]imidazole

C15H20N2O — CID 2846887

IUPAC1-[4-(2,5-dimethylphenoxy)butyl]imidazole
SMILESCc1ccc(C)c(OCCCCn2ccnc2)c1
InChIInChI=1S/C15H20N2O/c1-13-5-6-14(2)15(11-13)18-10-4-3-8-17-9-7-16-12-17/h5-7,9,11-12H,3-4,8,10H2,1-2H3
InChIKeyMOWXKVLGLKIYPZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.36
Rot. Bonds6

About 1-[4-(2,5-dimethylphenoxy)butyl]imidazole

1-[4-(2,5-dimethylphenoxy)butyl]imidazole (PubChem CID 2846887) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenoxy)butyl]imidazole
PubChem CID2846887
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[4-(2,5-dimethylphenoxy)butyl]imidazole
SMILESCc1ccc(C)c(OCCCCn2ccnc2)c1
InChIInChI=1S/C15H20N2O/c1-13-5-6-14(2)15(11-13)18-10-4-3-8-17-9-7-16-12-17/h5-7,9,11-12H,3-4,8,10H2,1-2H3
InChIKeyMOWXKVLGLKIYPZ-UHFFFAOYSA-N
XLogP3.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.36
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-[4-(2,5-dimethylphenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(2,5-dimethylphenoxy)butyl]imidazole (CID 2846887) is 1-[4-(2,5-dimethylphenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(2,5-dimethylphenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(2,5-dimethylphenoxy)butyl]imidazole is Cc1ccc(C)c(OCCCCn2ccnc2)c1.
What is the InChIKey of 1-[4-(2,5-dimethylphenoxy)butyl]imidazole?
The InChIKey is MOWXKVLGLKIYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-13-5-6-14(2)15(11-13)18-10-4-3-8-17-9-7-16-12-17/h5-7,9,11-12H,3-4,8,10H2,1-2H3.
What are the key properties of 1-[4-(2,5-dimethylphenoxy)butyl]imidazole?
1-[4-(2,5-dimethylphenoxy)butyl]imidazole has a molecular weight of 244.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenoxy)butyl]imidazole is sourced from PubChem (CID 2846887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).