2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole

C14H14Cl2N2O — CID 69257218

IUPAC2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole
SMILESC=CCOCC(c1ncc[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-2-7-19-9-12(14-17-5-6-18-14)11-4-3-10(15)8-13(11)16/h2-6,8,12H,1,7,9H2,(H,17,18)
InChIKeyDCCYNAONIPGITK-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.05
Rot. Bonds6

About 2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole

2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole (PubChem CID 69257218) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole
PubChem CID69257218
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole
SMILESC=CCOCC(c1ncc[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-2-7-19-9-12(14-17-5-6-18-14)11-4-3-10(15)8-13(11)16/h2-6,8,12H,1,7,9H2,(H,17,18)
InChIKeyDCCYNAONIPGITK-UHFFFAOYSA-N
XLogP4.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-prop-2-enoxyphenyl)-1H-imidazole
CID 56723242
2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol
CID 70278030
O-ethyl 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)butanethioate
CID 88692644
[(2,5-dichlorophenyl)-(1H-imidazol-2-yl)methyl]hydrazine
CID 105252174
2-(2,5-dichlorophenyl)-1H-imidazole
CID 67618991
2-(2-ethoxy-1-phenylethyl)-1H-imidazole
CID 57296965
2-hepta-1,6-dien-4-yl-1H-imidazole
CID 69448654
2-(4-chloro-3-fluorophenyl)-1-(1H-imidazol-2-yl)ethanol
CID 107884317
2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene
CID 124548037
1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene
CID 141179142
3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol
CID 54440980
2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole
CID 107991767

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole (CID 69257218) is 2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole is C=CCOCC(c1ncc[nH]1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole?
The InChIKey is DCCYNAONIPGITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-2-7-19-9-12(14-17-5-6-18-14)11-4-3-10(15)8-13(11)16/h2-6,8,12H,1,7,9H2,(H,17,18).
What are the key properties of 2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole?
2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole has a molecular weight of 297.19 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-1H-imidazole is sourced from PubChem (CID 69257218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).