2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole

C12H13ClN2O — CID 117189880

IUPAC2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole
SMILESCCn1cc(C)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-3-15-8-9(2)14-12(15)16-11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3
InChIKeyAAIAIWNZEOLBHI-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.66
Rot. Bonds3

About 2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole

2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole (PubChem CID 117189880) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole
PubChem CID117189880
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole
SMILESCCn1cc(C)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O/c1-3-15-8-9(2)14-12(15)16-11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3
InChIKeyAAIAIWNZEOLBHI-UHFFFAOYSA-N
XLogP3.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole
CID 117189904
1,4-dimethyl-2-(4-methylphenoxy)imidazole
CID 117189505
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
2-[1-[(2,5-dichlorophenyl)methyl]-4-methylimidazol-2-yl]oxypyridine
CID 118416927
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80863734
bis(4-chlorophenoxy)-diethylsilane
CID 91742030
N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106577587
2-(4-chlorophenoxy)-6-methylpyridine;ethane
CID 168898019
2-(4-chlorophenoxy)-4-methyl-1,3-thiazole
CID 117189244
2-[(4-chlorophenoxy)methyl]-1-ethylimidazole-4-carboxylic acid
CID 117187768
N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554458
1-(4-chlorophenyl)-4-(4-methylphenoxy)pyrazole
CID 117229529

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole?
The IUPAC name of 2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole (CID 117189880) is 2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole?
The canonical SMILES for 2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole is CCn1cc(C)nc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole?
The InChIKey is AAIAIWNZEOLBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-3-15-8-9(2)14-12(15)16-11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole?
2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole has a molecular weight of 236.70 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole is sourced from PubChem (CID 117189880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).