2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole

C11H12Cl2N2O — CID 3038503

IUPAC2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESC[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1
InChIInChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyKSMAGQUYOIHWFS-SSDOTTSWSA-N
MW259.14 g/mol
LogP2.76
Rot. Bonds3

About 2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole

2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 3038503) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID3038503
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESC[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1
InChIInChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyKSMAGQUYOIHWFS-SSDOTTSWSA-N
XLogP2.76
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole (CID 3038503) is 2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole is C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1.
What is the InChIKey of 2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is KSMAGQUYOIHWFS-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of 2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole?
2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 259.14 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 3038503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).