1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole

C17H13ClF2N2S — CID 70636865

IUPAC1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole
SMILESFc1ccc(C(Sc2ccc(Cl)cc2)C(F)n2ccnc2)cc1
InChIInChI=1S/C17H13ClF2N2S/c18-13-3-7-15(8-4-13)23-16(12-1-5-14(19)6-2-12)17(20)22-10-9-21-11-22/h1-11,16-17H
InChIKeyDNKMMBLKHYCSSQ-UHFFFAOYSA-N
MW350.82 g/mol
LogP5.68
Rot. Bonds5

About 1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole

1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole (PubChem CID 70636865) has the molecular formula C17H13ClF2N2S and a molecular weight of 350.82 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole
PubChem CID70636865
Molecular FormulaC17H13ClF2N2S
Molecular Weight350.82 g/mol
Exact Mass350.05
IUPAC Name1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole
SMILESFc1ccc(C(Sc2ccc(Cl)cc2)C(F)n2ccnc2)cc1
InChIInChI=1S/C17H13ClF2N2S/c18-13-3-7-15(8-4-13)23-16(12-1-5-14(19)6-2-12)17(20)22-10-9-21-11-22/h1-11,16-17H
InChIKeyDNKMMBLKHYCSSQ-UHFFFAOYSA-N
XLogP5.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.82
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sulconazole
CID 5318
Butoconazole
CID 47472
Butoconazole Nitrate
CID 47471
1-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 6604421
(R)-butaconazole
CID 476416
1-benzyl-2-[(4-chlorobenzyl)thio]-1H-imidazole
CID 788065
1-(2-(((4-Chlorophenyl)methyl)sulfinyl)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole
CID 177822
1-[2-(4-Chlorophenyl)sulfanylethyl]imidazole
CID 762587
1-[4-(4-Chlorophenyl)sulfanylbutyl]imidazole
CID 2922879
1-(5-chlorothiophen-2-yl)-2-(1H-imidazol-1-yl)-3-phenylpropane
CID 44579029
1-[[2-(2-(4-Chlorophenyl)ethyl)-1,3-dithiolan-2-yl]methyl]imidazole hydrochloride
CID 11610203
(S)-butoconazole
CID 476417

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole (CID 70636865) is 1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole is Fc1ccc(C(Sc2ccc(Cl)cc2)C(F)n2ccnc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole?
The InChIKey is DNKMMBLKHYCSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2S/c18-13-3-7-15(8-4-13)23-16(12-1-5-14(19)6-2-12)17(20)22-10-9-21-11-22/h1-11,16-17H.
What are the key properties of 1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole?
1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole has a molecular weight of 350.82 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole is sourced from PubChem (CID 70636865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).