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

C11H10Cl2N2O — CID 10611136

IUPAC5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole
SMILESClc1cc(Cl)cc(OCCc2cnc[nH]2)c1
InChIInChI=1S/C11H10Cl2N2O/c12-8-3-9(13)5-11(4-8)16-2-1-10-6-14-7-15-10/h3-7H,1-2H2,(H,14,15)
InChIKeyUYQLAIHGDVFNPI-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.34
Rot. Bonds4

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

5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole (PubChem CID 10611136) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole
PubChem CID10611136
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole
SMILESClc1cc(Cl)cc(OCCc2cnc[nH]2)c1
InChIInChI=1S/C11H10Cl2N2O/c12-8-3-9(13)5-11(4-8)16-2-1-10-6-14-7-15-10/h3-7H,1-2H2,(H,14,15)
InChIKeyUYQLAIHGDVFNPI-UHFFFAOYSA-N
XLogP3.34
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole?
The IUPAC name of 5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole (CID 10611136) is 5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole.
What is the SMILES notation for 5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole?
The canonical SMILES for 5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole is Clc1cc(Cl)cc(OCCc2cnc[nH]2)c1.
What is the InChIKey of 5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole?
The InChIKey is UYQLAIHGDVFNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-8-3-9(13)5-11(4-8)16-2-1-10-6-14-7-15-10/h3-7H,1-2H2,(H,14,15).
What are the key properties of 5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole?
5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole has a molecular weight of 257.12 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dichlorophenoxy)ethyl]-1H-imidazole is sourced from PubChem (CID 10611136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).