1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole

C16H22N2O — CID 803758

IUPAC1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole
SMILESCc1cc(C(C)(C)C)ccc1OCCn1ccnc1
InChIInChI=1S/C16H22N2O/c1-13-11-14(16(2,3)4)5-6-15(13)19-10-9-18-8-7-17-12-18/h5-8,11-12H,9-10H2,1-4H3
InChIKeyPOGAZYBZFRTRDD-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.57
Rot. Bonds4

About 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole

1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole (PubChem CID 803758) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole
PubChem CID803758
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole
SMILESCc1cc(C(C)(C)C)ccc1OCCn1ccnc1
InChIInChI=1S/C16H22N2O/c1-13-11-14(16(2,3)4)5-6-15(13)19-10-9-18-8-7-17-12-18/h5-8,11-12H,9-10H2,1-4H3
InChIKeyPOGAZYBZFRTRDD-UHFFFAOYSA-N
XLogP3.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole (CID 803758) is 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole is Cc1cc(C(C)(C)C)ccc1OCCn1ccnc1.
What is the InChIKey of 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole?
The InChIKey is POGAZYBZFRTRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-11-14(16(2,3)4)5-6-15(13)19-10-9-18-8-7-17-12-18/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole?
1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole has a molecular weight of 258.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]imidazole is sourced from PubChem (CID 803758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).