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

C16H22N2O — CID 24906199

IUPAC2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESCC(Oc1ccccc1C1CCCC1)C1=NCCN1
InChIInChI=1S/C16H22N2O/c1-12(16-17-10-11-18-16)19-15-9-5-4-8-14(15)13-6-2-3-7-13/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,17,18)
InChIKeyWIQCERUTOBWUOL-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.11
Rot. Bonds4

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

2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 24906199) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID24906199
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESCC(Oc1ccccc1C1CCCC1)C1=NCCN1
InChIInChI=1S/C16H22N2O/c1-12(16-17-10-11-18-16)19-15-9-5-4-8-14(15)13-6-2-3-7-13/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,17,18)
InChIKeyWIQCERUTOBWUOL-UHFFFAOYSA-N
XLogP3.11
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole (CID 24906199) is 2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole is CC(Oc1ccccc1C1CCCC1)C1=NCCN1.
What is the InChIKey of 2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WIQCERUTOBWUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(16-17-10-11-18-16)19-15-9-5-4-8-14(15)13-6-2-3-7-13/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,17,18).
What are the key properties of 2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 258.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopentylphenoxy)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 24906199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).