5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole

C15H20N2O — CID 66142193

IUPAC5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole
SMILESCn1cncc1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H20N2O/c1-15(2,3)12-5-7-14(8-6-12)18-10-13-9-16-11-17(13)4/h5-9,11H,10H2,1-4H3
InChIKeyDLXCPOVJNOABIH-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.30
Rot. Bonds3

About 5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole

5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole (PubChem CID 66142193) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole
PubChem CID66142193
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole
SMILESCn1cncc1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H20N2O/c1-15(2,3)12-5-7-14(8-6-12)18-10-13-9-16-11-17(13)4/h5-9,11H,10H2,1-4H3
InChIKeyDLXCPOVJNOABIH-UHFFFAOYSA-N
XLogP3.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole?
The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole (CID 66142193) is 5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole is Cn1cncc1COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole?
The InChIKey is DLXCPOVJNOABIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)12-5-7-14(8-6-12)18-10-13-9-16-11-17(13)4/h5-9,11H,10H2,1-4H3.
What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole?
5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole has a molecular weight of 244.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 66142193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).