1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole

C14H18N2O — CID 867257

IUPAC1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole
SMILESCc1cc(C)c(C)c(OCCn2ccnc2)c1
InChIInChI=1S/C14H18N2O/c1-11-8-12(2)13(3)14(9-11)17-7-6-16-5-4-15-10-16/h4-5,8-10H,6-7H2,1-3H3
InChIKeyDSKKGRGVRYMTNJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.89
Rot. Bonds4

About 1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole

1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole (PubChem CID 867257) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole
PubChem CID867257
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole
SMILESCc1cc(C)c(C)c(OCCn2ccnc2)c1
InChIInChI=1S/C14H18N2O/c1-11-8-12(2)13(3)14(9-11)17-7-6-16-5-4-15-10-16/h4-5,8-10H,6-7H2,1-3H3
InChIKeyDSKKGRGVRYMTNJ-UHFFFAOYSA-N
XLogP2.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole (CID 867257) is 1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole is Cc1cc(C)c(C)c(OCCn2ccnc2)c1.
What is the InChIKey of 1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole?
The InChIKey is DSKKGRGVRYMTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-8-12(2)13(3)14(9-11)17-7-6-16-5-4-15-10-16/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole?
1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole has a molecular weight of 230.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,5-trimethylphenoxy)ethyl]imidazole is sourced from PubChem (CID 867257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).