(2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol

C19H19FN2O2S — CID 39972873

IUPAC(2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
SMILESCc1ccccc1-n1ccnc1SC[C@@H](O)COc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2S/c1-14-4-2-3-5-18(14)22-11-10-21-19(22)25-13-16(23)12-24-17-8-6-15(20)7-9-17/h2-11,16,23H,12-13H2,1H3/t16-/m0/s1
InChIKeyNTLNTWYOMALMAU-INIZCTEOSA-N
MW358.44 g/mol
LogP3.85
Rot. Bonds7

About (2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol

(2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol (PubChem CID 39972873) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
PubChem CID39972873
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name(2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
SMILESCc1ccccc1-n1ccnc1SC[C@@H](O)COc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2S/c1-14-4-2-3-5-18(14)22-11-10-21-19(22)25-13-16(23)12-24-17-8-6-15(20)7-9-17/h2-11,16,23H,12-13H2,1H3/t16-/m0/s1
InChIKeyNTLNTWYOMALMAU-INIZCTEOSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
CID 42896633
6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10835345
(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108813
1-(4-fluorophenoxy)-3-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
CID 18130337
1-(4-fluorophenoxy)-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
CID 112758365
(1R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(2-fluorophenyl)ethanol
CID 38659451
1-[4-[2-hydroxy-3-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropoxy]phenyl]propan-1-one
CID 24579904
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol
CID 18280457
3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanoic acid
CID 82133298
4-[(2S)-2-hydroxy-3-(1-methylimidazol-2-yl)sulfanylpropoxy]benzonitrile
CID 94184578
(2S)-2-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]pentanedinitrile
CID 95172068

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol?
The IUPAC name of (2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol (CID 39972873) is (2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol is Cc1ccccc1-n1ccnc1SC[C@@H](O)COc1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol?
The InChIKey is NTLNTWYOMALMAU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-14-4-2-3-5-18(14)22-11-10-21-19(22)25-13-16(23)12-24-17-8-6-15(20)7-9-17/h2-11,16,23H,12-13H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol?
(2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol has a molecular weight of 358.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol is sourced from PubChem (CID 39972873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).