2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole

C11H13ClN2O — CID 57345625

IUPAC2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESCC(Oc1ccccc1Cl)C1=NCCN1
InChIInChI=1S/C11H13ClN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyARHDCTCZSSOSFG-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.11
Rot. Bonds3

About 2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole

2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 57345625) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID57345625
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESCC(Oc1ccccc1Cl)C1=NCCN1
InChIInChI=1S/C11H13ClN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyARHDCTCZSSOSFG-UHFFFAOYSA-N
XLogP2.11
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole (CID 57345625) is 2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole is CC(Oc1ccccc1Cl)C1=NCCN1.
What is the InChIKey of 2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is ARHDCTCZSSOSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole?
2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 224.69 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 57345625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).