2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole

C22H23FN2S — CID 163368845

IUPAC2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole
SMILESFc1cccc(-n2cc(-c3ccccc3)nc2SCC2CCCCC2)c1
InChIInChI=1S/C22H23FN2S/c23-19-12-7-13-20(14-19)25-15-21(18-10-5-2-6-11-18)24-22(25)26-16-17-8-3-1-4-9-17/h2,5-7,10-15,17H,1,3-4,8-9,16H2
InChIKeyAPZCJIIXFPLACS-UHFFFAOYSA-N
MW366.50 g/mol
LogP6.35
Rot. Bonds5

About 2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole

2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole (PubChem CID 163368845) has the molecular formula C22H23FN2S and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole
PubChem CID163368845
Molecular FormulaC22H23FN2S
Molecular Weight366.50 g/mol
Exact Mass366.16
IUPAC Name2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole
SMILESFc1cccc(-n2cc(-c3ccccc3)nc2SCC2CCCCC2)c1
InChIInChI=1S/C22H23FN2S/c23-19-12-7-13-20(14-19)25-15-21(18-10-5-2-6-11-18)24-22(25)26-16-17-8-3-1-4-9-17/h2,5-7,10-15,17H,1,3-4,8-9,16H2
InChIKeyAPZCJIIXFPLACS-UHFFFAOYSA-N
XLogP6.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole
CID 163368821
1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 163368823
3-(cyclopropylmethylsulfanyl)-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 155976972
3-(cyclopropylmethylsulfanyl)-1-(3-fluorophenyl)pyrazin-2-one
CID 155976771
2-(cyclohexylmethylsulfanyl)-3-(2,4-difluorophenyl)quinazolin-4-one
CID 7845486
3-(cyclohexylmethylsulfanyl)-4-ethyl-5-phenyl-1,2,4-triazole
CID 86058119
3-(3-chlorophenyl)-2-(cyclohexylmethylsulfanyl)quinazolin-4-one
CID 7191427
N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine
CID 163368881
tert-butyl N-[4-[[4-[4-[4-[2-[[4-(difluoromethyl)phenyl]methylsulfanyl]-1-(3-fluorophenyl)imidazol-4-yl]phenyl]phenyl]-1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]carbamate
CID 167081528
[6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916343
N-cyclohexyl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 42658241
8-(cyclohexylmethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 71190625

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole?
The IUPAC name of 2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole (CID 163368845) is 2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole.
What is the SMILES notation for 2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole?
The canonical SMILES for 2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole is Fc1cccc(-n2cc(-c3ccccc3)nc2SCC2CCCCC2)c1.
What is the InChIKey of 2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole?
The InChIKey is APZCJIIXFPLACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2S/c23-19-12-7-13-20(14-19)25-15-21(18-10-5-2-6-11-18)24-22(25)26-16-17-8-3-1-4-9-17/h2,5-7,10-15,17H,1,3-4,8-9,16H2.
What are the key properties of 2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole?
2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole has a molecular weight of 366.50 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole is sourced from PubChem (CID 163368845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).