1-[2-(2,4,6-trimethylphenoxy)ethyl]imidazole

C14H18N2O — CID 565898

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

About 1-[2-(2,4,6-trimethylphenoxy)ethyl]imidazole

1-[2-(2,4,6-trimethylphenoxy)ethyl]imidazole (PubChem CID 565898) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[2-(2,4,6-trimethylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4,6-trimethylphenoxy)ethyl]imidazole
PubChem CID565898
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[2-(2,4,6-trimethylphenoxy)ethyl]imidazole
SMILESCc1cc(C)c(OCCn2ccnc2)c(C)c1
InChIInChI=1S/C14H18N2O/c1-11-8-12(2)14(13(3)9-11)17-7-6-16-5-4-15-10-16/h4-5,8-10H,6-7H2,1-3H3
InChIKeyZKXCMIQDIDVXPD-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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Related Compounds

Skf 96365
CID 104955
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
SKF-96365 free base
CID 104956
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
1-[2-(2-methoxyphenoxy)ethyl]-1H-imidazole
CID 868517
1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
2-Propanol, 3-(tert-butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069780
2H-1-Benzopyran-2-one, 4-(2-(1H-imidazol-1-yl)ethoxy)-
CID 11311402
1-Imidazol-1-yl-3-(4-octylphenoxy)propan-2-one
CID 46230393
1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,6-trimethylphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(2,4,6-trimethylphenoxy)ethyl]imidazole (CID 565898) is 1-[2-(2,4,6-trimethylphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4,6-trimethylphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(2,4,6-trimethylphenoxy)ethyl]imidazole is Cc1cc(C)c(OCCn2ccnc2)c(C)c1.
What is the InChIKey of 1-[2-(2,4,6-trimethylphenoxy)ethyl]imidazole?
The InChIKey is ZKXCMIQDIDVXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-8-12(2)14(13(3)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-(2,4,6-trimethylphenoxy)ethyl]imidazole?
1-[2-(2,4,6-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-(2,4,6-trimethylphenoxy)ethyl]imidazole is sourced from PubChem (CID 565898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).