1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole

C18H16Cl2N2O — CID 21481629

IUPAC1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole
SMILESCC(c1ccccc1OCc1ccc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C18H16Cl2N2O/c1-13(22-9-8-21-12-22)16-4-2-3-5-18(16)23-11-14-6-7-15(19)10-17(14)20/h2-10,12-13H,11H2,1H3
InChIKeyHUFKNBOVMCCGNV-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.38
Rot. Bonds5

About 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole

1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole (PubChem CID 21481629) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole.

Molecular Properties

Compound Name1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole
PubChem CID21481629
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole
SMILESCC(c1ccccc1OCc1ccc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C18H16Cl2N2O/c1-13(22-9-8-21-12-22)16-4-2-3-5-18(16)23-11-14-6-7-15(19)10-17(14)20/h2-10,12-13H,11H2,1H3
InChIKeyHUFKNBOVMCCGNV-UHFFFAOYSA-N
XLogP5.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid
CID 71397350
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole
CID 21481581
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]imidazole
CID 3007459
(Z)-1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-1-imidazol-1-yl-N-methoxymethanimine
CID 22904486
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861855
1-[(Z)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 6479456
1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 3007496
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid
CID 14062132
1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole
CID 21481677

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole?
The IUPAC name of 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole (CID 21481629) is 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole.
What is the SMILES notation for 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole?
The canonical SMILES for 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole is CC(c1ccccc1OCc1ccc(Cl)cc1Cl)n1ccnc1.
What is the InChIKey of 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole?
The InChIKey is HUFKNBOVMCCGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-13(22-9-8-21-12-22)16-4-2-3-5-18(16)23-11-14-6-7-15(19)10-17(14)20/h2-10,12-13H,11H2,1H3.
What are the key properties of 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole?
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole has a molecular weight of 347.25 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole is sourced from PubChem (CID 21481629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).