[2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol

C19H19FN2O2S — CID 7622046

IUPAC[2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
SMILESCOc1ccc(Cn2cc(CO)nc2SCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O2S/c1-24-18-8-4-14(5-9-18)10-22-11-17(12-23)21-19(22)25-13-15-2-6-16(20)7-3-15/h2-9,11,23H,10,12-13H2,1H3
InChIKeyKDSSEVJIPQUYJZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.86
Rot. Bonds7

About [2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol

[2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol (PubChem CID 7622046) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
PubChem CID7622046
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name[2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
SMILESCOc1ccc(Cn2cc(CO)nc2SCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O2S/c1-24-18-8-4-14(5-9-18)10-22-11-17(12-23)21-19(22)25-13-15-2-6-16(20)7-3-15/h2-9,11,23H,10,12-13H2,1H3
InChIKeyKDSSEVJIPQUYJZ-UHFFFAOYSA-N
XLogP3.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
CID 7622044
2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 7621995
1-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylimidazole
CID 69188613
[1-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
CID 43996535
[1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol
CID 7621903
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide
CID 7621863
2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 7621735
N-[(4-fluorophenyl)methyl]-2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7621426
N-(2,5-dimethylphenyl)-2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7621936
(2S)-2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylbutanoate
CID 7622063
N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide
CID 43996436
ethyl 2-[[2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate
CID 43996459

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol (CID 7622046) is [2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol is COc1ccc(Cn2cc(CO)nc2SCc2ccc(F)cc2)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol?
The InChIKey is KDSSEVJIPQUYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-24-18-8-4-14(5-9-18)10-22-11-17(12-23)21-19(22)25-13-15-2-6-16(20)7-3-15/h2-9,11,23H,10,12-13H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol?
[2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol has a molecular weight of 358.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 7622046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).