1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole

C18H13Cl3N2O2 — CID 54027975

IUPAC1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
SMILESClc1ccc(C(=Cn2ccnc2)OCOc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl3N2O2/c19-13-5-6-14(16(21)9-13)18(10-23-8-7-22-11-23)25-12-24-17-4-2-1-3-15(17)20/h1-11H,12H2
InChIKeyLDOUJPLBBPKFDS-UHFFFAOYSA-N
MW395.67 g/mol
LogP5.85
Rot. Bonds6

About 1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole

1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole (PubChem CID 54027975) has the molecular formula C18H13Cl3N2O2 and a molecular weight of 395.67 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole.

Molecular Properties

Compound Name1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
PubChem CID54027975
Molecular FormulaC18H13Cl3N2O2
Molecular Weight395.67 g/mol
Exact Mass394.00
IUPAC Name1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
SMILESClc1ccc(C(=Cn2ccnc2)OCOc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl3N2O2/c19-13-5-6-14(16(21)9-13)18(10-23-8-7-22-11-23)25-12-24-17-4-2-1-3-15(17)20/h1-11H,12H2
InChIKeyLDOUJPLBBPKFDS-UHFFFAOYSA-N
XLogP5.85
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 3033986
1-[(Z)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 10250981
5-chloro-2-[2-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethenoxy]ethylsulfanyl]pyridine
CID 54056354
1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
CID 3038103
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethenyl] 4-chlorobenzoate
CID 4991198
1-[2-[(4-chlorophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
CID 70582230
1-[2-[2-[(5-bromothiophen-2-yl)methoxy]ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 54273671
1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole
CID 70462372
[2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol
CID 70583033
1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole
CID 70462354
1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid
CID 70462656
1-[(Z)-2-(2,4-dichlorophenyl)-2-ethoxyethenyl]-1,2,4-triazole
CID 70539608

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole?
The IUPAC name of 1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole (CID 54027975) is 1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole.
What is the SMILES notation for 1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole?
The canonical SMILES for 1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole is Clc1ccc(C(=Cn2ccnc2)OCOc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole?
The InChIKey is LDOUJPLBBPKFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O2/c19-13-5-6-14(16(21)9-13)18(10-23-8-7-22-11-23)25-12-24-17-4-2-1-3-15(17)20/h1-11H,12H2.
What are the key properties of 1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole?
1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole has a molecular weight of 395.67 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole is sourced from PubChem (CID 54027975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).