1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole

C18H15Cl3N2O — CID 69082730

IUPAC1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole
SMILESClc1ccc(COC(Cl)(Cc2ccc(Cl)cc2)n2ccnc2)cc1
InChIInChI=1S/C18H15Cl3N2O/c19-16-5-1-14(2-6-16)11-18(21,23-10-9-22-13-23)24-12-15-3-7-17(20)8-4-15/h1-10,13H,11-12H2
InChIKeyXUUAGPAIJANCHB-UHFFFAOYSA-N
MW381.69 g/mol
LogP5.50
Rot. Bonds6

About 1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole

1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole (PubChem CID 69082730) has the molecular formula C18H15Cl3N2O and a molecular weight of 381.69 g/mol. Its IUPAC name is 1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole
PubChem CID69082730
Molecular FormulaC18H15Cl3N2O
Molecular Weight381.69 g/mol
Exact Mass380.02
IUPAC Name1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole
SMILESClc1ccc(COC(Cl)(Cc2ccc(Cl)cc2)n2ccnc2)cc1
InChIInChI=1S/C18H15Cl3N2O/c19-16-5-1-14(2-6-16)11-18(21,23-10-9-22-13-23)24-12-15-3-7-17(20)8-4-15/h1-10,13H,11-12H2
InChIKeyXUUAGPAIJANCHB-UHFFFAOYSA-N
XLogP5.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.69
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol
CID 70530603
1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methylsulfanylmethoxy]ethyl]imidazole;nitric acid
CID 70604132
1-[1-chloro-2-(4-chlorophenyl)-1-(phenoxymethoxy)ethyl]imidazole;nitric acid
CID 70604268
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
CID 24745175
3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol
CID 10613637
1-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
(Z)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 88721100
1-[1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]-2-methylprop-1-enyl]imidazole
CID 3007501
1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
CID 69499485
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
1-[(4-bromophenyl)methoxy]imidazole
CID 1491058

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole?
The IUPAC name of 1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole (CID 69082730) is 1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole.
What is the SMILES notation for 1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole?
The canonical SMILES for 1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole is Clc1ccc(COC(Cl)(Cc2ccc(Cl)cc2)n2ccnc2)cc1.
What is the InChIKey of 1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole?
The InChIKey is XUUAGPAIJANCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2O/c19-16-5-1-14(2-6-16)11-18(21,23-10-9-22-13-23)24-12-15-3-7-17(20)8-4-15/h1-10,13H,11-12H2.
What are the key properties of 1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole?
1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole has a molecular weight of 381.69 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole is sourced from PubChem (CID 69082730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).