1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole

C19H18F2N2Se — CID 164615928

IUPAC1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole
SMILESCCc1ccccc1[Se]C(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C19H18F2N2Se/c1-2-14-5-3-4-6-18(14)24-19(12-23-10-9-22-13-23)16-8-7-15(20)11-17(16)21/h3-11,13,19H,2,12H2,1H3
InChIKeyBTZNJUHTZKZWFH-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.49
Rot. Bonds6

About 1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole

1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole (PubChem CID 164615928) has the molecular formula C19H18F2N2Se and a molecular weight of 391.32 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole
PubChem CID164615928
Molecular FormulaC19H18F2N2Se
Molecular Weight391.32 g/mol
Exact Mass392.06
IUPAC Name1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole
SMILESCCc1ccccc1[Se]C(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C19H18F2N2Se/c1-2-14-5-3-4-6-18(14)24-19(12-23-10-9-22-13-23)16-8-7-15(20)11-17(16)21/h3-11,13,19H,2,12H2,1H3
InChIKeyBTZNJUHTZKZWFH-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
CID 21402230
1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole
CID 21402241
(E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride
CID 20844811
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 51083657
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 94172086
1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole
CID 162644406
N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749470
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
2,4-bis(4-fluoro-2-nitrophenyl)-1,5-di(imidazol-1-yl)pentan-3-one
CID 174716691
1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 112631437
1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole
CID 21499632

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole (CID 164615928) is 1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole is CCc1ccccc1[Se]C(Cn1ccnc1)c1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole?
The InChIKey is BTZNJUHTZKZWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2Se/c1-2-14-5-3-4-6-18(14)24-19(12-23-10-9-22-13-23)16-8-7-15(20)11-17(16)21/h3-11,13,19H,2,12H2,1H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole?
1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole has a molecular weight of 391.32 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole is sourced from PubChem (CID 164615928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).