2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole

C12H13ClN2O — CID 117190659

IUPAC2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole
SMILESCCn1c(C)cnc1Oc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O/c1-3-15-9(2)8-14-12(15)16-11-7-5-4-6-10(11)13/h4-8H,3H2,1-2H3
InChIKeyJJYVPTKDBJDQKF-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.66
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole

2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole (PubChem CID 117190659) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole
PubChem CID117190659
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole
SMILESCCn1c(C)cnc1Oc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O/c1-3-15-9(2)8-14-12(15)16-11-7-5-4-6-10(11)13/h4-8H,3H2,1-2H3
InChIKeyJJYVPTKDBJDQKF-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

2-(1-ethyl-5-methylimidazol-2-yl)oxyphenol
CID 117190674
1-ethyl-2-[(2-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188610
2-[(2-bromophenoxy)methyl]-1-ethyl-5-methylimidazole
CID 117188596
5-bromo-1-ethyl-2-(2-fluorophenoxy)imidazole
CID 117190664
3-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazol-4-amine
CID 117190643
2-(2-chlorophenoxy)-5-methylpyridin-3-amine
CID 66279781
3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole
CID 41423540
5-(2-chlorophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66012101
[5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine
CID 115041207
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine
CID 81233947
1-[4-(2-chlorophenoxy)pyrazol-1-yl]propan-2-amine
CID 117125305

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole?
The IUPAC name of 2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole (CID 117190659) is 2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole?
The canonical SMILES for 2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole is CCn1c(C)cnc1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole?
The InChIKey is JJYVPTKDBJDQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-3-15-9(2)8-14-12(15)16-11-7-5-4-6-10(11)13/h4-8H,3H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-1-ethyl-5-methylimidazole?
2-(2-chlorophenoxy)-1-ethyl-5-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-(2-chlorophenoxy)-1-ethyl-5-methylimidazole is sourced from PubChem (CID 117190659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).