(1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol

C19H19FN2OS — CID 38659451

IUPAC(1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol
SMILESCc1cccc(-n2ccnc2SC[C@H](O)c2ccccc2F)c1C
InChIInChI=1S/C19H19FN2OS/c1-13-6-5-9-17(14(13)2)22-11-10-21-19(22)24-12-18(23)15-7-3-4-8-16(15)20/h3-11,18,23H,12H2,1-2H3/t18-/m0/s1
InChIKeyHGCLATMGTSNYHO-SFHVURJKSA-N
MW342.44 g/mol
LogP4.45
Rot. Bonds5

About (1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol

(1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol (PubChem CID 38659451) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is (1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol
PubChem CID38659451
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC Name(1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol
SMILESCc1cccc(-n2ccnc2SC[C@H](O)c2ccccc2F)c1C
InChIInChI=1S/C19H19FN2OS/c1-13-6-5-9-17(14(13)2)22-11-10-21-19(22)24-12-18(23)15-7-3-4-8-16(15)20/h3-11,18,23H,12H2,1-2H3/t18-/m0/s1
InChIKeyHGCLATMGTSNYHO-SFHVURJKSA-N
XLogP4.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61228127
(2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
CID 39972873
1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
CID 42896633
N'-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-fluorobenzohydrazide
CID 46813112
1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 163542444
3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 134010930
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 134010931
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 41459961
2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-fluorophenyl)ethanol
CID 110885129
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 41459858
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 40685052
1-(4-benzoylpiperazin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 39757846

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol (CID 38659451) is (1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol is Cc1cccc(-n2ccnc2SC[C@H](O)c2ccccc2F)c1C.
What is the InChIKey of (1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol?
The InChIKey is HGCLATMGTSNYHO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-13-6-5-9-17(14(13)2)22-11-10-21-19(22)24-12-18(23)15-7-3-4-8-16(15)20/h3-11,18,23H,12H2,1-2H3/t18-/m0/s1.
What are the key properties of (1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol?
(1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol has a molecular weight of 342.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 38659451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).