2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone

C26H21Cl4FN2O2 — CID 21442935

IUPAC2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1C=CN(CC(OCc2c(Cl)cc(Cl)cc2Cl)c2ccc(Cl)cc2)C1)c1ccc(F)cc1
InChIInChI=1S/C26H21Cl4FN2O2/c27-19-5-1-18(2-6-19)26(35-15-22-23(29)11-20(28)12-24(22)30)14-33-10-9-32(16-33)13-25(34)17-3-7-21(31)8-4-17/h1-12,26H,13-16H2
InChIKeyMAGPBWQHLVILMN-UHFFFAOYSA-N
MW554.28 g/mol
LogP7.63
Rot. Bonds9

About 2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone

2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 21442935) has the molecular formula C26H21Cl4FN2O2 and a molecular weight of 554.28 g/mol. Its IUPAC name is 2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID21442935
Molecular FormulaC26H21Cl4FN2O2
Molecular Weight554.28 g/mol
Exact Mass552.03
IUPAC Name2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1C=CN(CC(OCc2c(Cl)cc(Cl)cc2Cl)c2ccc(Cl)cc2)C1)c1ccc(F)cc1
InChIInChI=1S/C26H21Cl4FN2O2/c27-19-5-1-18(2-6-19)26(35-15-22-23(29)11-20(28)12-24(22)30)14-33-10-9-32(16-33)13-25(34)17-3-7-21(31)8-4-17/h1-12,26H,13-16H2
InChIKeyMAGPBWQHLVILMN-UHFFFAOYSA-N
XLogP7.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.28
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone (CID 21442935) is 2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone is O=C(CN1C=CN(CC(OCc2c(Cl)cc(Cl)cc2Cl)c2ccc(Cl)cc2)C1)c1ccc(F)cc1.
What is the InChIKey of 2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is MAGPBWQHLVILMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl4FN2O2/c27-19-5-1-18(2-6-19)26(35-15-22-23(29)11-20(28)12-24(22)30)14-33-10-9-32(16-33)13-25(34)17-3-7-21(31)8-4-17/h1-12,26H,13-16H2.
What are the key properties of 2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone?
2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 554.28 g/mol, XLogP of 7.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-chlorophenyl)-2-[(2,4,6-trichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 21442935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).