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

C12H14Cl2N2O — CID 23454828

IUPAC2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole
SMILESCCC(Oc1cccc(Cl)c1Cl)C1=NCCN1
InChIInChI=1S/C12H14Cl2N2O/c1-2-9(12-15-6-7-16-12)17-10-5-3-4-8(13)11(10)14/h3-5,9H,2,6-7H2,1H3,(H,15,16)
InChIKeyNMTRFOHVRBXAGQ-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.15
Rot. Bonds4

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

2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole (PubChem CID 23454828) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole
PubChem CID23454828
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole
SMILESCCC(Oc1cccc(Cl)c1Cl)C1=NCCN1
InChIInChI=1S/C12H14Cl2N2O/c1-2-9(12-15-6-7-16-12)17-10-5-3-4-8(13)11(10)14/h3-5,9H,2,6-7H2,1H3,(H,15,16)
InChIKeyNMTRFOHVRBXAGQ-UHFFFAOYSA-N
XLogP3.15
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole
CID 23454825
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-(2,3-dichlorophenyl)-4,5-dihydro-1H-imidazole
CID 110540705
(3S)-3-[(1S)-1-(2,3-dichlorophenoxy)-2-ethylbutyl]pyrrolidine
CID 66849223
2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole
CID 58951733
2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
CID 119089815
1-(1-bromoethoxy)-2,3-dichlorobenzene
CID 67903309

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole (CID 23454828) is 2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole is CCC(Oc1cccc(Cl)c1Cl)C1=NCCN1.
What is the InChIKey of 2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole?
The InChIKey is NMTRFOHVRBXAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-2-9(12-15-6-7-16-12)17-10-5-3-4-8(13)11(10)14/h3-5,9H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole?
2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole has a molecular weight of 273.16 g/mol, XLogP of 3.15, 4 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)propyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 23454828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).