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

C14H14Cl2N2O — CID 54337740

IUPAC1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
SMILESCC=COC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-8,10,14H,9H2,1H3
InChIKeyTWSDEFZXYDXWQC-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.48
Rot. Bonds5

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

1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole (PubChem CID 54337740) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
PubChem CID54337740
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
SMILESCC=COC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-8,10,14H,9H2,1H3
InChIKeyTWSDEFZXYDXWQC-UHFFFAOYSA-N
XLogP4.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] carbamothioate
CID 140542063
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole
CID 3009148
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 3-methylsulfanylprop-2-enoate
CID 154775836
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(2,4-dichlorophenyl)ethanethioate
CID 54353590
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzoate;hydrochloride
CID 155545468
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole
CID 10691952

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole (CID 54337740) is 1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole is CC=COC(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole?
The InChIKey is TWSDEFZXYDXWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-8,10,14H,9H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole?
1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole has a molecular weight of 297.19 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole is sourced from PubChem (CID 54337740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).