2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole

C13H16Cl2N2O — CID 23454825

IUPAC2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole
SMILESCCCC(Oc1cccc(Cl)c1Cl)C1=NCCN1
InChIInChI=1S/C13H16Cl2N2O/c1-2-4-11(13-16-7-8-17-13)18-10-6-3-5-9(14)12(10)15/h3,5-6,11H,2,4,7-8H2,1H3,(H,16,17)
InChIKeyUYGUGIZVYSTDAN-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.54
Rot. Bonds5

About 2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole

2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole (PubChem CID 23454825) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole
PubChem CID23454825
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole
SMILESCCCC(Oc1cccc(Cl)c1Cl)C1=NCCN1
InChIInChI=1S/C13H16Cl2N2O/c1-2-4-11(13-16-7-8-17-13)18-10-6-3-5-9(14)12(10)15/h3,5-6,11H,2,4,7-8H2,1H3,(H,16,17)
InChIKeyUYGUGIZVYSTDAN-UHFFFAOYSA-N
XLogP3.54
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole
CID 23454828
2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole
CID 23454827
2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole
CID 143735077
2-chloro-3-methylphenol;2-(2-chloro-3-methylphenoxy)butanenitrile;2-[1-(2-chloro-3-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole;1-cyanopropyl methanesulfonate
CID 160676739
2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 46851237
2-[1-(2,6-dichlorophenoxy)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole;formamide
CID 176560113
1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene
CID 173367803
2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole
CID 54217279
2-(2,3-dichlorophenyl)-4,5-dihydro-1H-imidazole
CID 110540705
(3S)-3-[(1S)-1-(2,3-dichlorophenoxy)-2-ethylbutyl]pyrrolidine
CID 66849223
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol
CID 122517146
2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
CID 119089815

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole (CID 23454825) is 2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole is CCCC(Oc1cccc(Cl)c1Cl)C1=NCCN1.
What is the InChIKey of 2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole?
The InChIKey is UYGUGIZVYSTDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-2-4-11(13-16-7-8-17-13)18-10-6-3-5-9(14)12(10)15/h3,5-6,11H,2,4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole?
2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole has a molecular weight of 287.19 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 23454825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).