1-[2-(2,3-dimethylphenoxy)ethyl]imidazole

C13H16N2O — CID 868561

IUPAC1-[2-(2,3-dimethylphenoxy)ethyl]imidazole
SMILESCc1cccc(OCCn2ccnc2)c1C
InChIInChI=1S/C13H16N2O/c1-11-4-3-5-13(12(11)2)16-9-8-15-7-6-14-10-15/h3-7,10H,8-9H2,1-2H3
InChIKeyVWWPZURXJNBUBW-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.58
Rot. Bonds4

About 1-[2-(2,3-dimethylphenoxy)ethyl]imidazole

1-[2-(2,3-dimethylphenoxy)ethyl]imidazole (PubChem CID 868561) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenoxy)ethyl]imidazole
PubChem CID868561
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[2-(2,3-dimethylphenoxy)ethyl]imidazole
SMILESCc1cccc(OCCn2ccnc2)c1C
InChIInChI=1S/C13H16N2O/c1-11-4-3-5-13(12(11)2)16-9-8-15-7-6-14-10-15/h3-7,10H,8-9H2,1-2H3
InChIKeyVWWPZURXJNBUBW-UHFFFAOYSA-N
XLogP2.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(2,3-dimethylphenoxy)ethyl]imidazole (CID 868561) is 1-[2-(2,3-dimethylphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,3-dimethylphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(2,3-dimethylphenoxy)ethyl]imidazole is Cc1cccc(OCCn2ccnc2)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylphenoxy)ethyl]imidazole?
The InChIKey is VWWPZURXJNBUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11-4-3-5-13(12(11)2)16-9-8-15-7-6-14-10-15/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-[2-(2,3-dimethylphenoxy)ethyl]imidazole?
1-[2-(2,3-dimethylphenoxy)ethyl]imidazole has a molecular weight of 216.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenoxy)ethyl]imidazole is sourced from PubChem (CID 868561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).