2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole

C16H22N2O — CID 888148

IUPAC2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole
SMILESCc1ccc(C(C)C)c(OCCn2ccnc2C)c1
InChIInChI=1S/C16H22N2O/c1-12(2)15-6-5-13(3)11-16(15)19-10-9-18-8-7-17-14(18)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyJCOHKTBOUMLDDO-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.70
Rot. Bonds5

About 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole

2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole (PubChem CID 888148) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole
PubChem CID888148
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole
SMILESCc1ccc(C(C)C)c(OCCn2ccnc2C)c1
InChIInChI=1S/C16H22N2O/c1-12(2)15-6-5-13(3)11-16(15)19-10-9-18-8-7-17-14(18)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyJCOHKTBOUMLDDO-UHFFFAOYSA-N
XLogP3.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole?
The IUPAC name of 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole (CID 888148) is 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole.
What is the SMILES notation for 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole?
The canonical SMILES for 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole is Cc1ccc(C(C)C)c(OCCn2ccnc2C)c1.
What is the InChIKey of 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole?
The InChIKey is JCOHKTBOUMLDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)15-6-5-13(3)11-16(15)19-10-9-18-8-7-17-14(18)4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole?
2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole has a molecular weight of 258.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole is sourced from PubChem (CID 888148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).